N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-tosyl-piperazine-1-carboxamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O3S2/c1-18-6-8-21(9-7-18)31(28,29)26-13-11-25(12-14-26)22(27)24-10-15-30-17-20-5-3-2-4-19(20)16-23/h2-9H,10-15,17H2,1H3,(H,24,27)