4-[2-[7-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid

Systemtic Name: 4-[2-[7-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfonyl]benzoic acid Openeye Name: 4-[2-(1-benzhydryl-7-chloro-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid CAS Name: 4-[2-[7-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]ethylsulfonyl]benzoic acid IUPAC Name: 4-[2-(1-benzhydryl-7-chloro-2-methylindol-3-yl)ethylsulfonyl]benzoic acid Traditional Name: 4-[2-(1-benzhydryl-7-chloro-2-methyl-indol-3-yl)ethylsulfonyl]benzoic acid Formula: C31H26ClNO4S MolecularWeight: 544.06044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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