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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)Cl)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)Cl)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H29ClN2O2S/c1-21-28(24-14-16-30(17-15-24)34(32,33)20-22-8-3-2-4-9-22)26-12-5-6-13-27(26)31(21)19-23-10-7-11-25(29)18-23/h2-13,18,24H,14-17,19-20H2,1H3