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

Systemtic Name: methyl 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[3-[(4-fluorophenyl)methyl]hexahydropyrimidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]sulfonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-(4-fluorobenzyl)hexahydropyrimidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H20FN3O4S MolecularWeight: 381.421803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCN(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCN(C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O4S/c1-25-17(22)16-9-15(10-19-16)26(23,24)21-8-2-7-20(12-21)11-13-3-5-14(18)6-4-13/h3-6,9-10,19H,2,7-8,11-12H2,1H3