N1-(3-cyanophenyl)-N2-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-1,2-dicarboxamide

Systemtic Name: N1-(3-cyanophenyl)-N2-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-1,2-dicarboxamide Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-N2-benzyl-N1-(3-cyanophenyl)piperazine-1,2-dicarboxamide CAS Name: 4-[2-(benzenesulfonyl)ethyl]-N1-(3-cyanophenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-2-N-benzyl-1-N-(3-cyanophenyl)piperazine-1,2-dicarboxamide Traditional Name: N'-benzyl-4-(2-besylethyl)-N-(3-cyanophenyl)piperazine-1,2-dicarboxamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(CN1CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H29N5O4S/c29-19-23-10-7-11-24(18-23)31-28(35)33-15-14-32(16-17-38(36,37)25-12-5-2-6-13-25)21-26(33)27(34)30-20-22-8-3-1-4-9-22/h1-13,18,26H,14-17,20-21H2,(H,30,34)(H,31,35)