2-[4-[[1-(3,5-dimethylphenyl)sulfonylindol-6-yl]carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[1-(3,5-dimethylphenyl)sulfonylindol-6-yl]carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[1-(3,5-dimethylphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[[1-(3,5-dimethylphenyl)sulfonyl-6-indolyl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[1-(3,5-dimethylphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[1-(3,5-dimethylphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S/c1-16-11-17(2)13-22(12-16)33(31,32)27-10-9-19-5-6-20(15-23(19)27)25(30)26-21-7-3-18(4-8-21)14-24(28)29/h3-13,15H,14H2,1-2H3,(H,26,30)(H,28,29)