2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]thio]-N-phenyl-acetamide Formula: C27H26N4O4S2 MolecularWeight: 534.64974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H26N4O4S2/c1-19-11-12-20(17-24(19)37(33,34)31-13-15-35-16-14-31)26-22-9-5-6-10-23(22)27(30-29-26)36-18-25(32)28-21-7-3-2-4-8-21/h2-12,17H,13-16,18H2,1H3,(H,28,32)