N-[[1-[N'-(3-imidazol-1-ylpropyl)-N-methylsulfonyl-carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-[N'-(3-imidazol-1-ylpropyl)-N-methylsulfonyl-carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N'-(3-imidazol-1-ylpropyl)-N-methylsulfonyl-carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[3-(1-imidazolyl)propylimino-(methanesulfonamido)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N'-(3-imidazol-1-ylpropyl)-N-methylsulfonylcarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N'-(3-imidazol-1-ylpropyl)-N-mesyl-amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C28H36N6O4S MolecularWeight: 552.68824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCCN3C=CN=C3)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCCN3C=CN=C3)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H36N6O4S/c1-38-25-12-7-6-11-24(25)26(35)31-21-28(23-9-4-3-5-10-23)13-18-34(19-14-28)27(32-39(2,36)37)30-15-8-17-33-20-16-29-22-33/h3-7,9-12,16,20,22H,8,13-15,17-19,21H2,1-2H3,(H,30,32)(H,31,35)