N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chlorophenyl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(2-chlorophenyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-chlorophenyl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2-chlorophenyl)thio]acetamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-28-19-11-10-16(30(26,27)24-12-6-2-3-7-13-24)14-18(19)23-21(25)15-29-20-9-5-4-8-17(20)22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25)