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

Systemtic Name: N-(3-methoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methoxypropyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methoxypropyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC

InChI

InChI=1S/C17H25N3O6S/c1-13-4-5-15(20(22)23)12-16(13)27(24,25)19-9-6-14(7-10-19)17(21)18-8-3-11-26-2/h4-5,12,14H,3,6-11H2,1-2H3,(H,18,21)