[7-[(2-methylsulfonylphenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: [7-[(2-methylsulfonylphenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromanyl-4-methyl-benzenesulfonate Openeye Name: [7-[(2-methylsulfonylphenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromo-4-methyl-benzenesulfonate CAS Name: 3-bromo-4-methylbenzenesulfonic acid [7-[[(2-methylsulfonylphenyl)methylamino]-oxomethyl]-1,6-naphthyridin-8-yl] ester IUPAC Name: [7-[(2-methylsulfonylphenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 3-bromo-4-methylbenzenesulfonate Traditional Name: 3-bromo-4-methyl-benzenesulfonic acid [7-[(2-mesylbenzyl)carbamoyl]-1,6-naphthyridin-8-yl] ester Formula: C24H20BrN3O6S2 MolecularWeight: 590.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=CN=C2C(=O)NCC4=CC=CC=C4S(=O)(=O)C)C=CC=N3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=CN=C2C(=O)NCC4=CC=CC=C4S(=O)(=O)C)C=CC=N3)Br

InChI

InChI=1S/C24H20BrN3O6S2/c1-15-9-10-18(12-19(15)25)36(32,33)34-23-21-17(7-5-11-26-21)14-27-22(23)24(29)28-13-16-6-3-4-8-20(16)35(2,30)31/h3-12,14H,13H2,1-2H3,(H,28,29)