3-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenolate

Systemtic Name: 3-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenolate Openeye Name: 3-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenolate CAS Name: 3-[[4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinyl]amino]phenolate IUPAC Name: 3-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]phenolate Traditional Name: 3-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenolate Formula: C26H27N5O3S MolecularWeight: 489.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)[O-])S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)[O-])S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H27N5O3S/c1-18-10-11-19(16-24(18)35(33,34)31-14-12-30(2)13-15-31)25-22-8-3-4-9-23(22)26(29-28-25)27-20-6-5-7-21(32)17-20/h3-11,16-17,32H,12-15H2,1-2H3,(H,27,29)