5-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)methyl-(2-furylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylic acid CAS Name: 5-[(4-chlorophenyl)methyl-(2-furanylmethyl)amino]-2-methylsulfonyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-methylsulfonylpyrimidine-4-carboxylic acid Traditional Name: 5-[(4-chlorobenzyl)-(2-furfuryl)amino]-2-mesyl-pyrimidine-4-carboxylic acid Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)N(CC2=CC=C(C=C2)Cl)CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)N(CC2=CC=C(C=C2)Cl)CC3=CC=CO3

InChI

InChI=1S/C18H16ClN3O5S/c1-28(25,26)18-20-9-15(16(21-18)17(23)24)22(11-14-3-2-8-27-14)10-12-4-6-13(19)7-5-12/h2-9H,10-11H2,1H3,(H,23,24)