N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylacetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylacetamide Traditional Name: N-(4-fluorophenyl)-2-phenyl-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

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