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

Systemtic Name: 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[cyclopropyl(p-tolylmethyl)amino]ethanone CAS Name: 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[cyclopropyl-(4-methylbenzyl)amino]ethanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C24H31N3O3S/c1-20-7-9-21(10-8-20)17-26(23-11-12-23)18-24(28)25-13-15-27(16-14-25)31(29,30)19-22-5-3-2-4-6-22/h2-10,23H,11-19H2,1H3