[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H21FN2O6S MolecularWeight: 472.486043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O6S/c1-2-14-25-33(30,31)19-12-8-17(9-13-19)23(29)32-20-5-3-4-15-26(22(20)28)21(27)16-6-10-18(24)11-7-16/h1,6-13,20,25H,3-5,14-15H2