1-azanyl-2-bromanyl-4-[[2-(2-hydroxyethylsulfonyl)-4-methyl-phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[[2-(2-hydroxyethylsulfonyl)-4-methyl-phenyl]amino]anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-[2-(2-hydroxyethylsulfonyl)-4-methyl-anilino]anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-[2-(2-hydroxyethylsulfonyl)-4-methylanilino]anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-[2-(2-hydroxyethylsulfonyl)-4-methylanilino]anthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-[2-(2-hydroxyethylsulfonyl)-4-methyl-anilino]-9,10-anthraquinone Formula: C23H19BrN2O5S MolecularWeight: 515.37636

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)Br)S(=O)(=O)CCO

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O5S/c1-12-6-7-16(18(10-12)32(30,31)9-8-27)26-17-11-15(24)21(25)20-19(17)22(28)13-4-2-3-5-14(13)23(20)29/h2-7,10-11,26-27H,8-9,25H2,1H3