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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-formylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-formylpiperazino)-2-keto-acetamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S2/c1-23(2)17-7-5-16(6-8-17)18(32(29,30)19-4-3-13-31-19)14-22-20(27)21(28)25-11-9-24(15-26)10-12-25/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,27)