N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]propionamide Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)OC

InChI

InChI=1S/C20H24N4O5S2/c1-28-17-4-3-16(13-18(17)29-2)31(26,27)24-10-8-23(9-11-24)7-5-19(25)22-20-15(14-21)6-12-30-20/h3-4,6,12-13H,5,7-11H2,1-2H3,(H,22,25)