N-(3-cyanothiophen-2-yl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propionamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H24N4O3S2/c1-15-3-4-16(2)18(13-15)29(26,27)24-10-8-23(9-11-24)7-5-19(25)22-20-17(14-21)6-12-28-20/h3-4,6,12-13H,5,7-11H2,1-2H3,(H,22,25)