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

Systemtic Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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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(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-16-7-8-20(17(2)13-16)33(31,32)27-11-9-26(10-12-27)15-22-25-19-6-4-3-5-18(19)23(30)28(22)14-21(24)29/h3-8,13H,9-12,14-15H2,1-2H3,(H2,24,29)