2-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2,4-dimethylphenyl)methyl-methyl-amino]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2,4-dimethylphenyl)methyl-methylamino]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(2,4-dimethylbenzyl)-methyl-amino]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18-9-10-20(19(2)15-18)16-23(3)17-22(26)24-11-13-25(14-12-24)29(27,28)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3