2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)C

InChI

InChI=1S/C23H25N5O3S/c1-17-7-8-21(18(2)15-17)32(30,31)27-13-11-26(12-14-27)16-22-25-20-6-4-3-5-19(20)23(29)28(22)10-9-24/h3-8,15H,10-14,16H2,1-2H3