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

Systemtic Name: methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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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)N5CCOCC5

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)N5CCOCC5

InChI

InChI=1S/C27H26N4O5S/c1-18-7-8-20(17-24(18)37(33,34)31-13-15-36-16-14-31)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-19(10-12-21)27(32)35-2/h3-12,17H,13-16H2,1-2H3,(H,28,30)