methyl 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C28H28N4O4S MolecularWeight: 516.61132

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C28H28N4O4S/c1-19-10-11-21(18-25(19)37(34,35)32-16-6-3-7-17-32)26-23-8-4-5-9-24(23)27(31-30-26)29-22-14-12-20(13-15-22)28(33)36-2/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)