methyl 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[3-[(4-fluorophenyl)methyl]hexahydropyrimidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[3-(4-fluorobenzyl)hexahydropyrimidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCCN(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCCN(C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O4S/c1-20-12-16(10-17(20)18(23)26-2)27(24,25)22-9-3-8-21(13-22)11-14-4-6-15(19)7-5-14/h4-7,10,12H,3,8-9,11,13H2,1-2H3