ethyl 4-[[5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfonyl-5-chloropyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoic acid ethyl ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O5S/c1-2-30-20(27)15-8-10-16(11-9-15)24-19(26)18-17(22)12-23-21(25-18)31(28,29)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,26)