N-ethyl-4-fluoranyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-ethyl-4-fluoranyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-ethyl-4-fluoro-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-fluoro-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-4-fluoro-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-fluoro-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28FN3O4S/c1-3-24-31(28,29)19-9-10-21(23)20(15-19)22(27)26-12-4-11-25(13-14-26)16-17-5-7-18(30-2)8-6-17/h5-10,15,24H,3-4,11-14,16H2,1-2H3