[2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate

Systemtic Name: [2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C21H21N5O5S/c1-13-11-14(2)24-21(23-13)26-32(29,30)18-9-7-17(8-10-18)25-19(27)12-31-20(28)15-3-5-16(22)6-4-15/h3-11H,12,22H2,1-2H3,(H,25,27)(H,23,24,26)