N-cyclopropyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-cyclopropyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-cyclopropyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-17-14-5-4-13(10-15(14)20(22)23)26(24,25)19-8-6-11(7-9-19)16(21)18-12-2-3-12/h4-5,10-12,17H,2-3,6-9H2,1H3,(H,18,21)