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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2,4-dimethylphenyl)methyl-methyl-amino]ethanone CAS Name: 2-[(2,4-dimethylphenyl)methyl-methylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2,4-dimethylphenyl)methyl-methylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2,4-dimethylbenzyl)-methyl-amino]ethanone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-19-9-10-22(20(2)15-19)16-24(3)17-23(27)25-11-13-26(14-12-25)30(28,29)18-21-7-5-4-6-8-21/h4-10,15H,11-14,16-18H2,1-3H3