N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[3-[oxo-(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H26F3N3O4S MolecularWeight: 485.51975

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H26F3N3O4S/c1-2-11-27-12-4-13-28(15-14-27)21(29)17-5-3-6-18(16-17)26-33(30,31)20-9-7-19(8-10-20)32-22(23,24)25/h3,5-10,16,26H,2,4,11-15H2,1H3