2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl(o-tolylmethyl)amino]ethanone CAS Name: 2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[methyl-(2-methylbenzyl)amino]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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