1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C13H17N3O5S/c1-9-2-3-11(16(18)19)8-12(9)22(20,21)15-6-4-10(5-7-15)13(14)17/h2-3,8,10H,4-7H2,1H3,(H2,14,17)