N-(4-methoxyphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(4-methoxyphenyl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(4-methoxyphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (4-methoxyphenyl)-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C26H26N4O4S MolecularWeight: 490.57404

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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)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)OC)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H26N4O4S/c1-18-7-8-19(17-24(18)35(31,32)30-13-15-34-16-14-30)25-22-5-3-4-6-23(22)26(29-28-25)27-20-9-11-21(33-2)12-10-20/h3-12,17H,13-16H2,1-2H3,(H,27,29)