5-butanoyl-2-[[4-[(6-chloranyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-butanoyl-2-[[4-[(6-chloranyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-butanoyl-2-[[4-(6-chloroindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid CAS Name: 2-[[[4-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-oxomethyl]amino]-5-(1-oxobutyl)benzoic acid IUPAC Name: 5-butanoyl-2-[[4-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]benzoic acid Traditional Name: 5-butyryl-2-[[4-(6-chloroindolin-1-yl)sulfonylbenzoyl]amino]benzoic acid Formula: C26H23ClN2O6S MolecularWeight: 526.98862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H23ClN2O6S/c1-2-3-24(30)18-7-11-22(21(14-18)26(32)33)28-25(31)17-5-9-20(10-6-17)36(34,35)29-13-12-16-4-8-19(27)15-23(16)29/h4-11,14-15H,2-3,12-13H2,1H3,(H,28,31)(H,32,33)