5-acetamido-1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 5-acetamido-1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 5-acetamido-1-amino-9,10-dioxo-4-(p-tolylsulfonylamino)anthracene-2-sulfonic acid CAS Name: 5-acetamido-1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 5-acetamido-1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 5-acetamido-1-amino-9,10-diketo-4-(tosylamino)anthracene-2-sulfonic acid Formula: C23H19N3O8S2 MolecularWeight: 529.54226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4NC(=O)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4NC(=O)C)N)S(=O)(=O)O

InChI

InChI=1S/C23H19N3O8S2/c1-11-6-8-13(9-7-11)35(30,31)26-16-10-17(36(32,33)34)21(24)20-19(16)23(29)18-14(22(20)28)4-3-5-15(18)25-12(2)27/h3-10,26H,24H2,1-2H3,(H,25,27)(H,32,33,34)