4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylindol-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylindol-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylindole-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)sulfonyl-6-indolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(2-methoxy-5-methylphenyl)sulfonylindole-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylindole-6-carbonyl]amino]benzoic acid Formula: C24H20N2O6S MolecularWeight: 464.4904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=CC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2C=CC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20N2O6S/c1-15-3-10-21(32-2)22(13-15)33(30,31)26-12-11-16-4-5-18(14-20(16)26)23(27)25-19-8-6-17(7-9-19)24(28)29/h3-14H,1-2H3,(H,25,27)(H,28,29)