5-bromanyl-2-[[4-[(3,3-dimethyl-2H-indol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[(3,3-dimethyl-2H-indol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-(3,3-dimethylindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[(3,3-dimethyl-2H-indol-1-yl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(3,3-dimethyl-2H-indol-1-yl)sulfonyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(3,3-dimethylindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid Formula: C24H21BrN2O5S MolecularWeight: 529.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O)C

Isomeric SMILES

CC1(CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O)C

InChI

InChI=1S/C24H21BrN2O5S/c1-24(2)14-27(21-6-4-3-5-19(21)24)33(31,32)17-10-7-15(8-11-17)22(28)26-20-12-9-16(25)13-18(20)23(29)30/h3-13H,14H2,1-2H3,(H,26,28)(H,29,30)