N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(4-tosylpiperazino)acetamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S2/c1-14-2-4-16(5-3-14)27(24,25)22-9-7-21(8-10-22)13-17(23)20-18-15(12-19)6-11-26-18/h2-6,11H,7-10,13H2,1H3,(H,20,23)