2-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

InChI=1S/C21H23N3O4S/c1-28-20-5-3-2-4-19(20)23-11-13-24(14-12-23)21(25)18-8-6-17(7-9-18)16-29(26,27)15-10-22/h2-9H,11-16H2,1H3