N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: 4-[2-(benzenesulfonyl)ethyl]-1-[oxo(3-pyridinyl)methyl]-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: N-benzyl-4-(2-besylethyl)-1-nicotinoyl-piperazine-2-carboxamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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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)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(CN1CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H28N4O4S/c31-25(28-18-21-8-3-1-4-9-21)24-20-29(16-17-35(33,34)23-11-5-2-6-12-23)14-15-30(24)26(32)22-10-7-13-27-19-22/h1-13,19,24H,14-18,20H2,(H,28,31)