[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C22H25N3O8S/c1-14-9-15(2)12-24(11-14)21(27)13-33-22(28)19-10-18(7-8-20(19)26)34(31,32)23-16-3-5-17(6-4-16)25(29)30/h3-8,10,14-15,23,26H,9,11-13H2,1-2H3