1-azanyl-4-[(4-methylphenyl)amino]-2-(phenylsulfonyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[(4-methylphenyl)amino]-2-(phenylsulfonyl)anthracene-9,10-dione Openeye Name: 1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione CAS Name: 1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione IUPAC Name: 1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione Traditional Name: 1-amino-2-besyl-4-(p-toluidino)-9,10-anthraquinone Formula: C27H20N2O4S MolecularWeight: 468.5237

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c1-16-11-13-17(14-12-16)29-21-15-22(34(32,33)18-7-3-2-4-8-18)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3