3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4-styrylsulfonylpiperazin-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(2-phenylethenylsulfonyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one Traditional Name: 3-[(4-styrylsulfonylpiperazino)methyl]quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c26-21-19-8-4-5-9-20(19)22-16-24(21)17-23-11-13-25(14-12-23)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2