(3-bromophenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (3-bromophenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (3-bromophenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid (3-bromophenyl) ester Formula: C18H12BrClN2O4S MolecularWeight: 467.72088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C18H12BrClN2O4S/c19-13-7-4-8-14(9-13)26-17(23)16-15(20)10-21-18(22-16)27(24,25)11-12-5-2-1-3-6-12/h1-10H,11H2