2-methoxy-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]benzamide

Systemtic Name: 2-methoxy-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]benzamide Openeye Name: 2-methoxy-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenyl-4-piperidyl]methyl]benzamide CAS Name: N-[[1-[(E)-amino(methylsulfonylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: 2-methoxy-N-[[1-[(E)-N'-methylsulfonylcarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]benzamide Traditional Name: N-[[1-[(E)-N'-mesylamidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NS(=O)(=O)C)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)/C(=N/S(=O)(=O)C)/N)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-30-19-11-7-6-10-18(19)20(27)24-16-22(17-8-4-3-5-9-17)12-14-26(15-13-22)21(23)25-31(2,28)29/h3-11H,12-16H2,1-2H3,(H2,23,25)(H,24,27)