methyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonyl-methyl-amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(C)C2=CC=CC=C2C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(C)C2=CC=CC=C2C(=O)OC)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-4-26(23,24)16-18-9-11(17)13(19-16)14(21)20(2)12-8-6-5-7-10(12)15(22)25-3/h5-9H,4H2,1-3H3