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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-methyl-phenyl)-2-chloranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-phenyl)-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-bromo-3-methylphenyl)-2-chlorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methylphenyl)-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-phenyl)-2-chloro-benzamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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