2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[4-(benzenesulfonyl)piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[4-(benzenesulfonyl)piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-(4-besylpiperazine-1-carbonyl)quinazolin-4-olate Formula: C19H17N4O4S- MolecularWeight: 397.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S/c24-18-15-8-4-5-9-16(15)20-17(21-18)19(25)22-10-12-23(13-11-22)28(26,27)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21,24)/p-1