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Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N3O3S
Molecular Weight 399.507
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-187308

SMILES

CC(C)CC1=CC=C(C(N)=C1)C2=CC=CC=C2S(=O)(=O)NC3=C(C)C(C)=NO3

InChI

InChIKey=OZDIAVKCLFSBME-UHFFFAOYSA-N
InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H25N3O3S
Molecular Weight 399.507
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
7K0YU35900
Record Status Validated (UNII)
Record Version