N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C23H28F3N3O4S MolecularWeight: 499.54633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H28F3N3O4S/c1-2-3-8-19-16-27-13-5-14-29(19)22(30)17-6-4-7-18(15-17)28-34(31,32)21-11-9-20(10-12-21)33-23(24,25)26/h4,6-7,9-12,15,19,27-28H,2-3,5,8,13-14,16H2,1H3