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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-ethylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-ethyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-(4-ethylpiperazino)-2-keto-acetamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O6S2/c1-4-24-9-11-25(12-10-24)22(27)21(26)23-15-19(33(28,29)20-6-5-13-32-20)16-7-8-17(30-2)18(14-16)31-3/h5-8,13-14,19H,4,9-12,15H2,1-3H3,(H,23,26)