2-methoxy-N-[[1-[N-methylsulfonyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]benzamide

Systemtic Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]benzamide Openeye Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-(2-pyridylmethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]benzamide CAS Name: N-[[1-[methanesulfonamido(2-pyridinylmethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]benzamide Traditional Name: N-[[1-[N-mesyl-N'-(2-pyridylmethyl)amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3=CC=CC=N3)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3=CC=CC=N3)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H33N5O4S/c1-37-25-14-7-6-13-24(25)26(34)31-21-28(22-10-4-3-5-11-22)15-18-33(19-16-28)27(32-38(2,35)36)30-20-23-12-8-9-17-29-23/h3-14,17H,15-16,18-21H2,1-2H3,(H,30,32)(H,31,34)