2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-6-8-17(9-7-16)29(25,26)23-13-11-22(12-14-23)20(24)18-4-2-3-5-19(18)28-15-10-21/h2-9H,11-15H2,1H3