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

Systemtic Name: N-(3-methylbutyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-isopentyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-isoamyl-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)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-13(2)6-9-19-18(22)15-7-10-20(11-8-15)27(25,26)17-12-16(21(23)24)5-4-14(17)3/h4-5,12-13,15H,6-11H2,1-3H3,(H,19,22)