N-(3-ethoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-3-27-12-4-9-19-18(22)15-7-10-20(11-8-15)28(25,26)17-13-16(21(23)24)6-5-14(17)2/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)