(3S)-N-(2-methoxy-4-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methoxy-4-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methoxy-4-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-methoxy-4-nitrophenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-(2-methoxy-4-nitro-phenyl)nipecotamide Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C14H19N3O6S/c1-23-13-8-11(17(19)20)5-6-12(13)15-14(18)10-4-3-7-16(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)/t10-/m0/s1