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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)-4-chloro-benzamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O3S/c1-14-6-9-18(16(21)12-14)23-20(25)15-7-8-17(22)19(13-15)28(26,27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)