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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3-chloranyl-4-methoxy-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-methoxy-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-chloro-4-methoxy-phenyl)benzamide Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)Cl

InChI

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