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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-chloranyl-phenyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chloro-phenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-bromo-3-chlorophenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chlorophenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chloro-phenyl)-2-methoxy-benzamide Formula: C20H22BrClN2O4S MolecularWeight: 501.82168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C20H22BrClN2O4S/c1-28-19-9-7-15(29(26,27)24-10-4-2-3-5-11-24)13-16(19)20(25)23-14-6-8-17(21)18(22)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)