[1-(2-dimethylaminoethylamino)-5,10-bis(oxidanylidene)benzo[g]phthalazin-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(2-dimethylaminoethylamino)-5,10-bis(oxidanylidene)benzo[g]phthalazin-6-yl] 4-methylbenzenesulfonate Openeye Name: [1-(2-dimethylaminoethylamino)-5,10-dioxo-benzo[g]phthalazin-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2-dimethylaminoethylamino)-5,10-dioxo-6-benzo[g]phthalazinyl] ester IUPAC Name: [1-(2-dimethylaminoethylamino)-5,10-dioxobenzo[g]phthalazin-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2-dimethylaminoethylamino)-5,10-diketo-benzo[g]phthalazin-6-yl] ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C4=CN=NC(=C4C3=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C4=CN=NC(=C4C3=O)NCCN(C)C

InChI

InChI=1S/C23H22N4O5S/c1-14-7-9-15(10-8-14)33(30,31)32-18-6-4-5-16-19(18)22(29)17-13-25-26-23(20(17)21(16)28)24-11-12-27(2)3/h4-10,13H,11-12H2,1-3H3,(H,24,26)