N-[4-(diethylcarbamoyl)phenyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(diethylcarbamoyl)phenyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(diethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[diethylamino(oxo)methyl]phenyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(diethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(diethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26FN3O4S/c1-3-25(4-2)22(28)16-7-10-18(11-8-16)24-21(27)17-9-12-19(23)20(15-17)31(29,30)26-13-5-6-14-26/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,27)