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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O)C=CC(=C2)C

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O)C=CC(=C2)C

InChI

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