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

Systemtic Name: butyl 4-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-propylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-2-propylsulfonylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoic acid butyl ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CCC

InChI

InChI=1S/C19H22ClN3O5S/c1-3-5-10-28-18(25)13-6-8-14(9-7-13)22-17(24)16-15(20)12-21-19(23-16)29(26,27)11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,24)