4-[2-[6-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid

Systemtic Name: 4-[2-[6-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid Openeye Name: 4-[2-(1-benzhydryl-6-chloro-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid CAS Name: 4-[2-[6-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]ethylsulfonyl]benzoic acid IUPAC Name: 4-[2-(1-benzhydryl-6-chloro-2-methylindol-3-yl)ethylsulfonyl]benzoic acid Traditional Name: 4-[2-(1-benzhydryl-6-chloro-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid Formula: C31H26ClNO4S MolecularWeight: 544.06044

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H26ClNO4S/c1-21-27(18-19-38(36,37)26-15-12-24(13-16-26)31(34)35)28-17-14-25(32)20-29(28)33(21)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-17,20,30H,18-19H2,1H3,(H,34,35)