N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-28-19-10-8-16(30(26,27)23-12-4-2-3-5-13-23)15-17(19)22-21(25)11-9-18(24)20-7-6-14-29-20/h6-8,10,14-15H,2-5,9,11-13H2,1H3,(H,22,25)