3-[[5-methoxy-3-[(Z)-(2-oxidanylidene-5-sulfamoyl-1H-indol-3-ylidene)methyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-methoxy-3-[(Z)-(2-oxidanylidene-5-sulfamoyl-1H-indol-3-ylidene)methyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[5-methoxy-3-[(Z)-(2-oxo-5-sulfamoyl-indolin-3-ylidene)methyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[5-methoxy-3-[(Z)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[5-methoxy-3-[(Z)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[(Z)-(2-keto-5-sulfamoyl-indolin-3-ylidene)methyl]-5-methoxy-indol-1-yl]methyl]benzoic acid Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H21N3O6S/c1-35-18-5-8-24-20(11-18)17(14-29(24)13-15-3-2-4-16(9-15)26(31)32)10-22-21-12-19(36(27,33)34)6-7-23(21)28-25(22)30/h2-12,14H,13H2,1H3,(H,28,30)(H,31,32)(H2,27,33,34)/b22-10-