[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid [2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H31N3O7S/c1-15-6-10-23(11-7-15)21(26)17(3)32-22(27)18-8-12-24(13-9-18)33(30,31)20-14-19(25(28)29)5-4-16(20)2/h4-5,14-15,17-18H,6-13H2,1-3H3