N-[1-[(4-fluorophenyl)methyl]-5-(3-oxidanylidenebutanoyl)pyrrol-3-yl]methanesulfonamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-5-(3-oxidanylidenebutanoyl)pyrrol-3-yl]methanesulfonamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-5-(3-oxobutanoyl)pyrrol-3-yl]methanesulfonamide CAS Name: N-[5-(1,3-dioxobutyl)-1-[(4-fluorophenyl)methyl]-3-pyrrolyl]methanesulfonamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-5-(3-oxobutanoyl)pyrrol-3-yl]methanesulfonamide Traditional Name: N-[5-acetoacetyl-1-(4-fluorobenzyl)pyrrol-3-yl]methanesulfonamide Formula: C16H17FN2O4S MolecularWeight: 352.380583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC(=CN1CC2=CC=C(C=C2)F)NS(=O)(=O)C

Isomeric SMILES

CC(=O)CC(=O)C1=CC(=CN1CC2=CC=C(C=C2)F)NS(=O)(=O)C

InChI

InChI=1S/C16H17FN2O4S/c1-11(20)7-16(21)15-8-14(18-24(2,22)23)10-19(15)9-12-3-5-13(17)6-4-12/h3-6,8,10,18H,7,9H2,1-2H3