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

Systemtic Name: 4-fluoranyl-3-methyl-N-[4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: 4-fluoro-3-methyl-N-[4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H28FN3O3S/c1-20-18-24(12-13-25(20)27)34(32,33)28-23-10-8-22(9-11-23)26(31)30-15-5-14-29(16-17-30)19-21-6-3-2-4-7-21/h2-4,6-13,18,28H,5,14-17,19H2,1H3