1-(4-methylphenyl)sulfonyl-4-phenylazanyl-anthracene-9,10-dione

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-phenylazanyl-anthracene-9,10-dione Openeye Name: 1-anilino-4-(p-tolylsulfonyl)anthracene-9,10-dione CAS Name: 1-anilino-4-(4-methylphenyl)sulfonylanthracene-9,10-dione IUPAC Name: 1-anilino-4-(4-methylphenyl)sulfonylanthracene-9,10-dione Traditional Name: 1-anilino-4-tosyl-9,10-anthraquinone Formula: C27H19NO4S MolecularWeight: 453.50906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H19NO4S/c1-17-11-13-19(14-12-17)33(31,32)23-16-15-22(28-18-7-3-2-4-8-18)24-25(23)27(30)21-10-6-5-9-20(21)26(24)29/h2-16,28H,1H3