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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopentylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopentylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(cyclopentylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-cyclopentylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(cyclopentylthio)acetamide Formula: C20H30N2O4S2 MolecularWeight: 426.5932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3CCCC3

InChI

InChI=1S/C20H30N2O4S2/c1-26-19-11-10-17(28(24,25)22-12-6-2-3-7-13-22)14-18(19)21-20(23)15-27-16-8-4-5-9-16/h10-11,14,16H,2-9,12-13,15H2,1H3,(H,21,23)