N-(3-imidazol-1-ylpropyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-isonipecotamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3)OC

InChI

InChI=1S/C20H28N4O4S/c1-16-14-18(4-5-19(16)28-2)29(26,27)24-11-6-17(7-12-24)20(25)22-8-3-10-23-13-9-21-15-23/h4-5,9,13-15,17H,3,6-8,10-12H2,1-2H3,(H,22,25)