2-[3-[methyl(methylsulfonyl)amino]phenyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: 2-[3-[methyl(methylsulfonyl)amino]phenyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: 2-[3-[methyl(methylsulfonyl)amino]phenyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[3-[methyl(methylsulfonyl)amino]phenyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate IUPAC Name: 2-[3-[methyl(methylsulfonyl)amino]phenyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-[3-[mesyl(methyl)amino]phenyl]-4H-isoquinoline-4-carboxylate Formula: C18H15N2O6S- MolecularWeight: 387.3865

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC(=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H16N2O6S/c1-19(27(2,25)26)11-6-5-7-12(10-11)20-16(21)14-9-4-3-8-13(14)15(17(20)22)18(23)24/h3-10,15H,1-2H3,(H,23,24)/p-1