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

Systemtic Name: N-butyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-butyl-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-butyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-butyl-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-3-4-9-19-17(22)13-7-10-20(11-8-13)27(25,26)14-5-6-15(18-2)16(12-14)21(23)24/h5-6,12-13,18H,3-4,7-11H2,1-2H3,(H,19,22)