RS-102221

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H31F3N4O7S
Molecular Weight	612.618
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC)=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)CCCCN3CCC4(CC3)NC(=O)NC4=O

InChI

InChIKey=HZZZZODVDSHQRG-UHFFFAOYSA-N

InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)

HIDE SMILES / InChI

Molecular Formula	C27H31F3N4O7S
Molecular Weight	612.618
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 2c (5-HT2c) receptor 124 Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9225287	Antagonist 2778		8.42 null [pKi]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:18:52 UTC 2023` Edited by `admin` on `Sat Dec 16 15:18:52 UTC 2023`
Record UNII	48D22QR8GY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RS-102221

Code

English

Benzenesulfonamide, N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)-

Systematic Name

English

N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide

Systematic Name

English

N-(2,4-DIMETHOXY-5-(5-(4-OXIDANYL-2-OXIDANYLIDENE-1,3,8-TRIAZASPIRO(4.5)DEC-3-EN-8-YL)PENTANOYL)PHENYL)-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE

Systematic Name

English

RS102221

Code

English

Code System Code Type Description

EPA CompTox

DTXSID801028164