N-[(2S)-6-methylheptan-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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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)CCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5S/c1-15(2)6-5-7-17(4)22-21(25)18-10-12-23(13-11-18)30(28,29)20-14-19(24(26)27)9-8-16(20)3/h8-9,14-15,17-18H,5-7,10-13H2,1-4H3,(H,22,25)/t17-/m0/s1