N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-2-methyl-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide Traditional Name: 4-fluoro-2-methyl-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H18FN3O4S2 MolecularWeight: 411.470923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C17H18FN3O4S2/c1-12-10-13(18)7-8-16(12)27(24,25)20-14-4-2-5-15(11-14)26(22,23)21-17-6-3-9-19-17/h2,4-5,7-8,10-11,20H,3,6,9H2,1H3,(H,19,21)