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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-methyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-keto-2-(4-methylpiperazino)acetamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(=O)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O6S2/c1-23-8-10-24(11-9-23)21(26)20(25)22-14-18(32(27,28)19-5-4-12-31-19)15-6-7-16(29-2)17(13-15)30-3/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,22,25)