2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]acetonitrile Traditional Name: 2-besyl-2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]quinoxalin-2-yl]acetonitrile Formula: C28H27N5O4S2 MolecularWeight: 561.67508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N5O4S2/c1-20-12-13-23(18-21(20)2)39(36,37)33-16-14-32(15-17-33)28-27(30-24-10-6-7-11-25(24)31-28)26(19-29)38(34,35)22-8-4-3-5-9-22/h3-13,18,26H,14-17H2,1-2H3