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

Systemtic Name: N-[[1-[(E)-(cyclopropylamino)methylsulfonyliminomethyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[(E)-(cyclopropylamino)methylsulfonyliminomethyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(E)-(cyclopropylamino)methylsulfonyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[(E)-(cyclopropylamino)methylsulfonyliminomethyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[(E)-(cyclopropylamino)methylsulfonyliminomethyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C=NS(=O)(=O)CNC3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)/C=N/S(=O)(=O)CNC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c1-33-23-10-6-5-9-22(23)24(30)26-17-25(20-7-3-2-4-8-20)13-15-29(16-14-25)18-28-34(31,32)19-27-21-11-12-21/h2-10,18,21,27H,11-17,19H2,1H3,(H,26,30)/b28-18+