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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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