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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[phenyl(2-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]isonipecotamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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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(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H26N4O5S/c1-18-10-11-21(29(31)32)17-23(18)35(33,34)28-15-12-20(13-16-28)25(30)27-24(19-7-3-2-4-8-19)22-9-5-6-14-26-22/h2-11,14,17,20,24H,12-13,15-16H2,1H3,(H,27,30)