N2-(2-dimethylaminoethyl)-4-(phenylmethyl)-N1-(phenylsulfonyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2-dimethylaminoethyl)-4-(phenylmethyl)-N1-(phenylsulfonyl)piperazine-1,2-dicarboxamide Openeye Name: N1-(benzenesulfonyl)-4-benzyl-N2-(2-dimethylaminoethyl)piperazine-1,2-dicarboxamide CAS Name: N1-(benzenesulfonyl)-N2-(2-dimethylaminoethyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 1-N-(benzenesulfonyl)-4-benzyl-2-N-(2-dimethylaminoethyl)piperazine-1,2-dicarboxamide Traditional Name: 4-benzyl-N-besyl-N'-(2-dimethylaminoethyl)piperazine-1,2-dicarboxamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CN(CCN1C(=O)NS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCNC(=O)C1CN(CCN1C(=O)NS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O4S/c1-26(2)14-13-24-22(29)21-18-27(17-19-9-5-3-6-10-19)15-16-28(21)23(30)25-33(31,32)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3,(H,24,29)(H,25,30)