1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(1S)-3-methyl-1-phenyl-butyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(1S)-3-methyl-1-phenyl-butyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(1S)-3-methyl-1-phenyl-butyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[(1S)-3-methyl-1-phenylbutyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(1S)-3-methyl-1-phenyl-butyl]isonipecotamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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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(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-17(2)15-22(19-7-5-4-6-8-19)25-24(28)20-11-13-26(14-12-20)33(31,32)23-16-21(27(29)30)10-9-18(23)3/h4-10,16-17,20,22H,11-15H2,1-3H3,(H,25,28)/t22-/m0/s1