[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-piperidino-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c1-24(2)34(31,32)16-10-11-19(25-12-6-3-7-13-25)17(14-16)22(28)33-15-21(27)23-18-8-4-5-9-20(18)26(29)30/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,27)