2-(4-acetamidophenyl)-6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonic acid

Systemtic Name: 2-(4-acetamidophenyl)-6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonic acid Openeye Name: 2-(4-acetamidophenyl)-6-amino-1,3-dioxo-benzo[de]isoquinoline-5-sulfonic acid CAS Name: 2-(4-acetamidophenyl)-6-amino-1,3-dioxo-5-benzo[de]isoquinolinesulfonic acid IUPAC Name: 2-(4-acetamidophenyl)-6-amino-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid Traditional Name: 2-(4-acetamidophenyl)-6-amino-1,3-diketo-benzo[de]isoquinoline-5-sulfonic acid Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O

InChI

InChI=1S/C20H15N3O6S/c1-10(24)22-11-5-7-12(8-6-11)23-19(25)14-4-2-3-13-17(14)15(20(23)26)9-16(18(13)21)30(27,28)29/h2-9H,21H2,1H3,(H,22,24)(H,27,28,29)