7-chloranyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C21H21ClN4O3S MolecularWeight: 444.93444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c22-17-6-7-18-19(14-17)23-20(24-21(18)27)15-25-9-11-26(12-10-25)30(28,29)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2,(H,23,24,27)/b13-8+