N-(2-methyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: 1-mesyl-N-(2-methyl-5-nitro-phenyl)nipecotamide Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C14H19N3O5S/c1-10-5-6-12(17(19)20)8-13(10)15-14(18)11-4-3-7-16(9-11)23(2,21)22/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,18)