3-(azepan-1-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-bromo-4-methylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-15-9-10-19(18(21)13-15)22-20(24)16-7-6-8-17(14-16)27(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)