1-azanyl-4-[(4-methyl-2-sulfamoyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-methyl-2-sulfamoyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(4-methyl-2-sulfamoyl-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(4-methyl-2-sulfamoyl-anilino)anthracene-2-sulfonic acid Formula: C21H17N3O7S2 MolecularWeight: 487.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C21H17N3O7S2/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31)