N-[4,8-bis(azanyl)-5-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)-3,7-diphenoxy-anthracen-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4,8-bis(azanyl)-5-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)-3,7-diphenoxy-anthracen-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4,8-diamino-9,10-dioxo-3,7-diphenoxy-5-(p-tolylsulfonylamino)-1-anthryl]-4-methyl-benzenesulfonamide CAS Name: N-[4,8-diamino-5-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-3,7-diphenoxy-1-anthracenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4,8-diamino-5-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-3,7-diphenoxyanthracen-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4,8-diamino-9,10-diketo-3,7-diphenoxy-5-(tosylamino)-1-anthryl]-4-methyl-benzenesulfonamide Formula: C40H32N4O8S2 MolecularWeight: 760.83408

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(=C4N)OC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)N)OC7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC(=C4N)OC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)N)OC7=CC=CC=C7

InChI

InChI=1S/C40H32N4O8S2/c1-23-13-17-27(18-14-23)53(47,48)43-29-21-31(51-25-9-5-3-6-10-25)37(41)35-33(29)39(45)36-34(40(35)46)30(44-54(49,50)28-19-15-24(2)16-20-28)22-32(38(36)42)52-26-11-7-4-8-12-26/h3-22,43-44H,41-42H2,1-2H3