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

Systemtic Name: N-butan-2-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-sec-butyl-piperidine-4-carboxamide CAS Name: N-butan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-butan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-sec-butyl-isonipecotamide Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c1-4-13(3)18-17(21)14-7-9-19(10-8-14)26(24,25)16-11-15(20(22)23)6-5-12(16)2/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,18,21)