N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-bis(chloranyl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-bis(chloranyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dichloro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3,4-dichlorobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,4-dichlorobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dichloro-benzamide Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N2O4S/c1-28-19-9-7-15(29(26,27)24-10-4-2-3-5-11-24)13-18(19)23-20(25)14-6-8-16(21)17(22)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)