4-fluoranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[3-(isobutyrylamino)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26FN3O4S/c1-15(2)21(27)25-18-7-5-6-16(12-18)14-24-22(28)17-8-9-19(23)20(13-17)31(29,30)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,24,28)(H,25,27)