2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]-1H-quinazolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O4S/c1-16-7-8-17(2)20(15-16)32(30,31)27-13-11-26(12-14-27)22(28)10-9-21-24-19-6-4-3-5-18(19)23(29)25-21/h3-8,15H,9-14H2,1-2H3,(H,24,25,29)