6-[(4-methylphenyl)sulfonylamino]-7-oxidanylidene-benzo[e]perimidine-4-sulfonic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-7-oxidanylidene-benzo[e]perimidine-4-sulfonic acid Openeye Name: 7-oxo-6-(p-tolylsulfonylamino)benzo[e]perimidine-4-sulfonic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-7-oxo-4-benzo[e]perimidinesulfonic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-7-oxobenzo[e]perimidine-4-sulfonic acid Traditional Name: 7-keto-6-(tosylamino)benzo[e]perimidine-4-sulfonic acid Formula: C22H15N3O6S2 MolecularWeight: 481.501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C3C4=C2C(=O)C5=CC=CC=C5C4=NC=N3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C3C4=C2C(=O)C5=CC=CC=C5C4=NC=N3)S(=O)(=O)O

InChI

InChI=1S/C22H15N3O6S2/c1-12-6-8-13(9-7-12)32(27,28)25-16-10-17(33(29,30)31)21-19-18(16)22(26)15-5-3-2-4-14(15)20(19)23-11-24-21/h2-11,25H,1H3,(H,29,30,31)