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

Systemtic Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Formula: C27H29N6O3S+ MolecularWeight: 517.62256

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=C(C=C4)C(=O)N)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O3S/c1-18-7-8-20(17-24(18)37(35,36)33-15-13-32(2)14-16-33)25-22-5-3-4-6-23(22)27(31-30-25)29-21-11-9-19(10-12-21)26(28)34/h3-12,17H,13-16H2,1-2H3,(H2,28,34)(H,29,31)/p+1