[5-methyl-3-[[4-[[5-methyl-1-(phenylsulfonyloxy)hexan-3-yl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]hexyl] benzenesulfonate

Systemtic Name: [5-methyl-3-[[4-[[5-methyl-1-(phenylsulfonyloxy)hexan-3-yl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]hexyl] benzenesulfonate Openeye Name: [3-[[4-[[1-[2-(benzenesulfonyloxy)ethyl]-3-methyl-butyl]amino]-9,10-dioxo-1-anthryl]amino]-5-methyl-hexyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[4-[[1-(benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxo-1-anthracenyl]amino]-5-methylhexyl] ester IUPAC Name: [3-[[4-[[1-(benzenesulfonyloxy)-5-methylhexan-3-yl]amino]-9,10-dioxoanthracen-1-yl]amino]-5-methylhexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[4-[[1-(2-besyloxyethyl)-3-methyl-butyl]amino]-9,10-diketo-1-anthryl]amino]-5-methyl-hexyl] ester Formula: C40H46N2O8S2 MolecularWeight: 746.93184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCOS(=O)(=O)C1=CC=CC=C1)NC2=C3C(=C(C=C2)NC(CCOS(=O)(=O)C4=CC=CC=C4)CC(C)C)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC(C)CC(CCOS(=O)(=O)C1=CC=CC=C1)NC2=C3C(=C(C=C2)NC(CCOS(=O)(=O)C4=CC=CC=C4)CC(C)C)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C40H46N2O8S2/c1-27(2)25-29(21-23-49-51(45,46)31-13-7-5-8-14-31)41-35-19-20-36(38-37(35)39(43)33-17-11-12-18-34(33)40(38)44)42-30(26-28(3)4)22-24-50-52(47,48)32-15-9-6-10-16-32/h5-20,27-30,41-42H,21-26H2,1-4H3