7-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17ClN4O3S2/c18-12-3-4-13-14(10-12)19-15(20-17(13)23)11-21-5-7-22(8-6-21)27(24,25)16-2-1-9-26-16/h1-4,9-10H,5-8,11H2,(H,19,20,23)