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

Systemtic Name: N-cyclohexyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-cyclohexyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cyclohexyl-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-cyclohexyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-cyclohexyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-20-17-8-7-16(13-18(17)23(25)26)29(27,28)22-11-9-14(10-12-22)19(24)21-15-5-3-2-4-6-15/h7-8,13-15,20H,2-6,9-12H2,1H3,(H,21,24)