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

Systemtic Name: N-butyl-N-ethyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-butyl-N-ethyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-butyl-N-ethyl-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-butyl-N-ethyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-butyl-N-ethyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-4-6-11-21(5-2)19(24)15-9-12-22(13-10-15)29(27,28)16-7-8-17(20-3)18(14-16)23(25)26/h7-8,14-15,20H,4-6,9-13H2,1-3H3