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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H22ClIN2O5S MolecularWeight: 576.83225

Click to see the large picture

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)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClIN2O5S/c22-19-10-9-17(31(28,29)24-16-7-5-15(23)6-8-16)13-18(19)21(27)30-14-20(26)25-11-3-1-2-4-12-25/h5-10,13,24H,1-4,11-12,14H2