N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-fluoranyl-phenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-4-fluoranyl-phenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-chloro-4-fluoro-phenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chloro-4-fluoro-phenyl)benzenesulfonamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClFN2O3S/c21-18-14-16(10-11-19(18)22)24(28(26,27)17-8-4-3-5-9-17)15-20(25)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15H2