[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O5S/c1-13-10-11-16(29(22,26)27)12-18(13)21(25)28-14(2)20(24)23-19-9-5-7-15-6-3-4-8-17(15)19/h3-12,14H,1-2H3,(H,23,24)(H2,22,26,27)