N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dichlorophenyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dichlorophenyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dichlorophenyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(3,4-dichlorophenyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3,4-dichlorophenyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dichlorophenyl)acetamide Formula: C21H24Cl2N2O4S MolecularWeight: 471.39726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O4S/c1-29-20-9-7-16(30(27,28)25-10-4-2-3-5-11-25)14-19(20)24-21(26)13-15-6-8-17(22)18(23)12-15/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,26)