N-heptan-2-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-heptan-2-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-methylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-heptan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-heptan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-methylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H31N3O5S/c1-4-5-6-7-16(3)21-20(24)17-10-12-22(13-11-17)29(27,28)19-14-18(23(25)26)9-8-15(19)2/h8-9,14,16-17H,4-7,10-13H2,1-3H3,(H,21,24)