(3S)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-(1-methylpyrrol-2-yl)methyleneamino]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-(1-methyl-2-pyrrolyl)methylideneamino]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-[(Z)-(1-methylpyrrol-2-yl)methyleneamino]nipecotamide Formula: C13H20N4O3S MolecularWeight: 312.3879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1/C=N\NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C13H20N4O3S/c1-16-7-4-6-12(16)9-14-15-13(18)11-5-3-8-17(10-11)21(2,19)20/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,15,18)/b14-9-/t11-/m0/s1