1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide

Systemtic Name: 1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-cyanophenyl)sulfonyl-piperazine-2-carboxamide CAS Name: 4-[2-(benzenesulfonyl)ethyl]-1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-cyanophenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-benzyl-4-(2-besylethyl)-1-(3-cyanophenyl)sulfonyl-piperazine-2-carboxamide Formula: C27H28N4O5S2 MolecularWeight: 552.66502

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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)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5S2/c28-19-23-10-7-13-25(18-23)38(35,36)31-15-14-30(16-17-37(33,34)24-11-5-2-6-12-24)21-26(31)27(32)29-20-22-8-3-1-4-9-22/h1-13,18,26H,14-17,20-21H2,(H,29,32)