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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H22BrClN2O5S/c22-15-5-7-16(8-6-15)24-31(28,29)17-9-10-19(23)18(13-17)21(27)30-14-20(26)25-11-3-1-2-4-12-25/h5-10,13,24H,1-4,11-12,14H2