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

Systemtic Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-(2-pyridin-4-ylethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]benzamide Openeye Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-[2-(4-pyridyl)ethyl]carbamimidoyl]-4-phenyl-4-piperidyl]methyl]benzamide CAS Name: N-[[1-[methanesulfonamido(2-pyridin-4-ylethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: 2-methoxy-N-[[1-[N-methylsulfonyl-N'-(2-pyridin-4-ylethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]benzamide Traditional Name: N-[[1-[N-mesyl-N'-[2-(4-pyridyl)ethyl]amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C29H35N5O4S MolecularWeight: 549.6843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCC3=CC=NC=C3)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCC3=CC=NC=C3)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C29H35N5O4S/c1-38-26-11-7-6-10-25(26)27(35)32-22-29(24-8-4-3-5-9-24)15-20-34(21-16-29)28(33-39(2,36)37)31-19-14-23-12-17-30-18-13-23/h3-13,17-18H,14-16,19-22H2,1-2H3,(H,31,33)(H,32,35)