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

Systemtic Name: methyl 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C28H29N5O4S MolecularWeight: 531.62596

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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)OC)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C28H29N5O4S/c1-19-8-9-21(18-25(19)38(35,36)33-16-14-32(2)15-17-33)26-23-6-4-5-7-24(23)27(31-30-26)29-22-12-10-20(11-13-22)28(34)37-3/h4-13,18H,14-17H2,1-3H3,(H,29,31)