N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-keto-5-(2-thienyl)valeramide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N2O5S2/c1-29-20-12-11-17(31(27,28)24-13-4-2-3-5-14-24)16-18(20)23-22(26)10-6-8-19(25)21-9-7-15-30-21/h7,9,11-12,15-16H,2-6,8,10,13-14H2,1H3,(H,23,26)