1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole Openeye Name: 1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(m-tolylsulfonyl)-4-piperidyl]indole CAS Name: 1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(3-methylphenyl)sulfonyl-4-piperidinyl]indole IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole Traditional Name: 1-(4-chlorobenzyl)-2-methyl-3-[1-(m-tolylsulfonyl)-4-piperidyl]indole Formula: C28H29ClN2O2S MolecularWeight: 493.06006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C28H29ClN2O2S/c1-20-6-5-7-25(18-20)34(32,33)30-16-14-23(15-17-30)28-21(2)31(27-9-4-3-8-26(27)28)19-22-10-12-24(29)13-11-22/h3-13,18,23H,14-17,19H2,1-2H3