N-[(2S)-5-methylhexan-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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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)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)CCC(C)C

InChI

InChI=1S/C20H31N3O5S/c1-14(2)5-7-16(4)21-20(24)17-9-11-22(12-10-17)29(27,28)19-13-18(23(25)26)8-6-15(19)3/h6,8,13-14,16-17H,5,7,9-12H2,1-4H3,(H,21,24)/t16-/m0/s1