N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazino)-2-keto-acetamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)N2CCN(CC2)C=O)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)N2CCN(CC2)C=O)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H25N3O7S2/c1-30-16-6-5-15(12-17(16)31-2)18(33(28,29)19-4-3-11-32-19)13-22-20(26)21(27)24-9-7-23(14-25)8-10-24/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,22,26)