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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H23N3O8S/c1-14-3-2-10-23(12-14)20(26)13-32-21(27)18-11-17(8-9-19(18)25)33(30,31)22-15-4-6-16(7-5-15)24(28)29/h4-9,11,14,22,25H,2-3,10,12-13H2,1H3