[1-(methylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CC(C(=O)NC)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-5-12-24(15-6-8-16(29-4)9-7-15)31(27,28)17-10-11-19(22)18(13-17)21(26)30-14(2)20(25)23-3/h5-11,13-14H,1,12H2,2-4H3,(H,23,25)