2-[[6,7-bis(chloranyl)-4-[[2-(cyclohexylmethylsulfamoyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(cyclohexylmethyl)benzenesulfonamide

Systemtic Name: 2-[[6,7-bis(chloranyl)-4-[[2-(cyclohexylmethylsulfamoyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(cyclohexylmethyl)benzenesulfonamide Openeye Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxo-1-anthryl]amino]benzenesulfonamide CAS Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxo-1-anthracenyl]amino]benzenesulfonamide IUPAC Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonamide Traditional Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-diketo-1-anthryl]amino]benzenesulfonamide Formula: C40H42Cl2N4O6S2 MolecularWeight: 809.82068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2NC3=C4C(=C(C=C3)NC5=CC=CC=C5S(=O)(=O)NCC6CCCCC6)C(=O)C7=CC(=C(C=C7C4=O)Cl)Cl

Isomeric SMILES

C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2NC3=C4C(=C(C=C3)NC5=CC=CC=C5S(=O)(=O)NCC6CCCCC6)C(=O)C7=CC(=C(C=C7C4=O)Cl)Cl

InChI

InChI=1S/C40H42Cl2N4O6S2/c41-29-21-27-28(22-30(29)42)40(48)38-34(46-32-16-8-10-18-36(32)54(51,52)44-24-26-13-5-2-6-14-26)20-19-33(37(38)39(27)47)45-31-15-7-9-17-35(31)53(49,50)43-23-25-11-3-1-4-12-25/h7-10,15-22,25-26,43-46H,1-6,11-14,23-24H2