4-[2-[1-(diphenylmethyl)-5-methoxy-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid

Systemtic Name: 4-[2-[1-(diphenylmethyl)-5-methoxy-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid Openeye Name: 4-[2-(1-benzhydryl-5-methoxy-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid CAS Name: 4-[2-[1-(diphenylmethyl)-5-methoxy-2-methyl-3-indolyl]ethylsulfonyl]benzoic acid IUPAC Name: 4-[2-(1-benzhydryl-5-methoxy-2-methylindol-3-yl)ethylsulfonyl]benzoic acid Traditional Name: 4-[2-(1-benzhydryl-5-methoxy-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)OC)CCS(=O)(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)OC)CCS(=O)(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H29NO5S/c1-22-28(19-20-39(36,37)27-16-13-25(14-17-27)32(34)35)29-21-26(38-2)15-18-30(29)33(22)31(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-18,21,31H,19-20H2,1-2H3,(H,34,35)