[1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate

Systemtic Name: [1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate Openeye Name: [1-methyl-2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-keto-1-methyl-2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethyl] ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

InChI

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