N-[1-(2-methylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[1-(2-methylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[1-(o-tolyl)ethyl]acetamide CAS Name: N-[1-(2-methylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-[1-(o-tolyl)ethyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-18-8-6-7-11-21(18)19(2)23-22(26)16-24-12-14-25(15-13-24)29(27,28)17-20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,23,26)