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

Systemtic Name: N-[[1-[(E)-aminomethylsulfonyliminomethyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[(E)-aminomethylsulfonyliminomethyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(E)-aminomethylsulfonyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[(E)-aminomethylsulfonyliminomethyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[(E)-aminomethylsulfonyliminomethyl]-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)CN)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-30-20-10-6-5-9-19(20)21(27)24-15-22(18-7-3-2-4-8-18)11-13-26(14-12-22)17-25-31(28,29)16-23/h2-10,17H,11-16,23H2,1H3,(H,24,27)/b25-17+