(2-oxidanylidenecyclohexyl) 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-oxocyclohexyl) 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[methyl-(phenylmethyl)sulfamoyl]benzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoic acid (2-ketocyclohexyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3=O

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3=O

InChI

InChI=1S/C21H22ClNO5S/c1-23(14-15-7-3-2-4-8-15)29(26,27)16-11-12-18(22)17(13-16)21(25)28-20-10-6-5-9-19(20)24/h2-4,7-8,11-13,20H,5-6,9-10,14H2,1H3