N-butyl-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-butyl-1-(4-chloranyl-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-(4-chloro-3-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-butyl-1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-butyl-1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-butyl-1-(4-chloro-3-nitro-phenyl)sulfonyl-isonipecotamide Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O5S/c1-2-3-8-18-16(21)12-6-9-19(10-7-12)26(24,25)13-4-5-14(17)15(11-13)20(22)23/h4-5,11-12H,2-3,6-10H2,1H3,(H,18,21)