3-[4-oxidanylidene-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butyl]quinazolin-4-one

Systemtic Name: 3-[4-oxidanylidene-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butyl]quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-(3-pyridylsulfonyl)piperazin-1-yl]butyl]quinazolin-4-one CAS Name: 3-[4-oxo-4-[4-(3-pyridinylsulfonyl)-1-piperazinyl]butyl]-4-quinazolinone IUPAC Name: 3-[4-oxo-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(3-pyridylsulfonyl)piperazino]butyl]quinazolin-4-one Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O4S/c27-20(8-4-10-25-16-23-19-7-2-1-6-18(19)21(25)28)24-11-13-26(14-12-24)31(29,30)17-5-3-9-22-15-17/h1-3,5-7,9,15-16H,4,8,10-14H2