N-(4-bromanyl-3-methyl-phenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C20H23BrFN3O3S MolecularWeight: 484.382323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C20H23BrFN3O3S/c1-15-13-17(5-8-19(15)21)23-20(26)14-24-9-2-10-25(12-11-24)29(27,28)18-6-3-16(22)4-7-18/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)