3-[[3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]amino]benzoic acid

Systemtic Name: 3-[[3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]amino]benzoic acid Openeye Name: 3-[[3-phenyl-2-[(1-propanoylindolin-5-yl)sulfonylamino]propanoyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonylamino]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]amino]benzoic acid Traditional Name: 3-[[3-phenyl-2-[(1-propionylindolin-5-yl)sulfonylamino]propanoyl]amino]benzoic acid Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H27N3O6S/c1-2-25(31)30-14-13-19-17-22(11-12-24(19)30)37(35,36)29-23(15-18-7-4-3-5-8-18)26(32)28-21-10-6-9-20(16-21)27(33)34/h3-12,16-17,23,29H,2,13-15H2,1H3,(H,28,32)(H,33,34)