[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 8-azanyl-5-[(3-hydroxyphenyl)methylsulfonyl]quinoline-2-carboxylate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 8-azanyl-5-[(3-hydroxyphenyl)methylsulfonyl]quinoline-2-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 8-amino-5-[(3-hydroxyphenyl)methylsulfonyl]quinoline-2-carboxylate CAS Name: 8-amino-5-[(3-hydroxyphenyl)methylsulfonyl]-2-quinolinecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 8-amino-5-[(3-hydroxyphenyl)methylsulfonyl]quinoline-2-carboxylate Traditional Name: 8-amino-5-(3-hydroxybenzyl)sulfonyl-quinaldic acid phthalimidomethyl ester Formula: C26H19N3O7S MolecularWeight: 517.50996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=NC4=C(C=CC(=C4C=C3)S(=O)(=O)CC5=CC(=CC=C5)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=NC4=C(C=CC(=C4C=C3)S(=O)(=O)CC5=CC(=CC=C5)O)N

InChI

InChI=1S/C26H19N3O7S/c27-20-9-11-22(37(34,35)13-15-4-3-5-16(30)12-15)19-8-10-21(28-23(19)20)26(33)36-14-29-24(31)17-6-1-2-7-18(17)25(29)32/h1-12,30H,13-14,27H2