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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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