2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N5O4S/c1-20-6-9-22(10-7-20)39(35,36)27(17-30)28-29(32-24-5-3-2-4-23(24)31-28)34-14-12-33(13-15-34)18-21-8-11-25-26(16-21)38-19-37-25/h2-11,16,27H,12-15,18-19H2,1H3