N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-fluorophenyl)-2-isoxazoline-5-carboxamide Formula: C22H24FN3O4S MolecularWeight: 445.507063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O4S/c23-17-8-5-7-16(13-17)20-15-21(30-25-20)22(27)24-18-9-6-10-19(14-18)31(28,29)26-11-3-1-2-4-12-26/h5-10,13-14,21H,1-4,11-12,15H2,(H,24,27)