3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]quinazolin-4-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H24N4O4S/c1-16-7-8-18(13-17(16)2)31(29,30)26-11-9-24(10-12-26)21(27)14-25-15-23-20-6-4-3-5-19(20)22(25)28/h3-8,13,15H,9-12,14H2,1-2H3