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

Systemtic Name: N-cyclopentyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-cyclopentyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cyclopentyl-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-cyclopentyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-cyclopentyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-19-16-7-6-15(12-17(16)22(24)25)28(26,27)21-10-8-13(9-11-21)18(23)20-14-4-2-3-5-14/h6-7,12-14,19H,2-5,8-11H2,1H3,(H,20,23)