methyl 4-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-propylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-propylsulfonylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoic acid methyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-3-8-26(23,24)16-18-9-12(17)13(20-16)14(21)19-11-6-4-10(5-7-11)15(22)25-2/h4-7,9H,3,8H2,1-2H3,(H,19,21)