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

Systemtic Name: N-(3-methylbutan-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,2-dimethylpropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methylbutan-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutan-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,2-dimethylpropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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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)NC(C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-12(2)14(4)19-18(22)15-7-9-20(10-8-15)27(25,26)17-11-16(21(23)24)6-5-13(17)3/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,22)