8-azanyl-6-(2-chlorophenyl)-4-ethylsulfonyl-2-(4-methoxyphenyl)-7-(phenylcarbonyl)phthalazin-1-one

Systemtic Name: 8-azanyl-6-(2-chlorophenyl)-4-ethylsulfonyl-2-(4-methoxyphenyl)-7-(phenylcarbonyl)phthalazin-1-one Openeye Name: 8-amino-7-benzoyl-6-(2-chlorophenyl)-4-ethylsulfonyl-2-(4-methoxyphenyl)phthalazin-1-one CAS Name: 8-amino-7-benzoyl-6-(2-chlorophenyl)-4-ethylsulfonyl-2-(4-methoxyphenyl)-1-phthalazinone IUPAC Name: 8-amino-7-benzoyl-6-(2-chlorophenyl)-4-ethylsulfonyl-2-(4-methoxyphenyl)phthalazin-1-one Traditional Name: 8-amino-7-benzoyl-6-(2-chlorophenyl)-4-esyl-2-(4-methoxyphenyl)phthalazin-1-one Formula: C30H24ClN3O5S MolecularWeight: 574.04666

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4)N)C5=CC=C(C=C5)OC

Isomeric SMILES

CCS(=O)(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4)N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H24ClN3O5S/c1-3-40(37,38)29-23-17-22(21-11-7-8-12-24(21)31)25(28(35)18-9-5-4-6-10-18)27(32)26(23)30(36)34(33-29)19-13-15-20(39-2)16-14-19/h4-17H,3,32H2,1-2H3