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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chloranyl-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[(4-bromophenyl)sulfamoyl]-2-chloro-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H22BrClN2O5S MolecularWeight: 529.83178

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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)Br)Cl

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H22BrClN2O5S/c1-14-3-2-10-25(12-14)20(26)13-30-21(27)18-11-17(8-9-19(18)23)31(28,29)24-16-6-4-15(22)5-7-16/h4-9,11,14,24H,2-3,10,12-13H2,1H3