N-(3-methyl-2-morpholin-4-yl-butyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-2-morpholin-4-yl-butyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-methyl-2-morpholino-butyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-methyl-2-(4-morpholinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(3-methyl-2-morpholino-butyl)isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-17(2)20(23-12-14-28-15-13-23)16-22-21(25)18-8-10-24(11-9-18)29(26,27)19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,22,25)