N-[(6-methoxypyridin-3-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[(6-methoxypyridin-3-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[(6-methoxy-3-pyridinyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4S/c1-26-17-8-7-15(13-19-17)14-20-18(23)21-9-11-22(12-10-21)27(24,25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,20,23)