5-CHLOROSULFONYL-2-(3-OXA-23-AZA-9-AZONIAHEPTACYCLO(17.7.1.15,9.02,17.04,15.023,27.013,28)OCTACOSA-1(27),2(17),4,9(28),13,15,18-HEPTAEN-16-YL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H29ClN2O6S2
Molecular Weight	625.155
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CHLOROSULFONYL-2-(3-OXA-23-AZA-9-AZONIAHEPTACYCLO(17.7.1.15,9.02,17.04,15.023,27.013,28)OCTACOSA-1(27),2(17),4,9(28),13,15,18-HEPTAEN-16-YL)BENZENESULFONATE

Structure Search

SMILES

[O-]S(=O)(=O)C1=CC(=CC=C1C2=C3C=C4CCCN5CCCC(C3=[O+]C6=C7CCCN8CCCC(C=C26)=C78)=C45)S(Cl)(=O)=O

InChI

InChIKey=MPLHNVLQVRSVEE-UHFFFAOYSA-N

InChI=1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2

HIDE SMILES / InChI

Molecular Formula	C31H29ClN2O6S2
Molecular Weight	625.155
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:41:36 GMT 2023` Edited by `admin` on `Sat Dec 16 18:41:36 GMT 2023`
Record UNII	734EQA7PWK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-CHLOROSULFONYL-2-(3-OXA-23-AZA-9-AZONIAHEPTACYCLO(17.7.1.15,9.02,17.04,15.023,27.013,28)OCTACOSA-1(27),2(17),4,9(28),13,15,18-HEPTAEN-16-YL)BENZENESULFONATE

Systematic Name

English

1H,5H,11H,15H-XANTHENO(2,3,4-IJ:5,6,7-I'J')DIQUINOLIZIN-18-IUM, 9-(4-(CHLOROSULFONYL)-2-SULFOPHENYL)-2,3,6,7,12,13,16,17-OCTAHYDRO-, INNER SALT

Common Name

English

Code System Code Type Description

PUBCHEM

452705

Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023

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CAS

934482-80-1

Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023

PRIMARY

FDA UNII

734EQA7PWK

Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023

PRIMARY