3-[[9,10-bis(oxidanylidene)-4-[4-(phenylsulfonyloxy)butan-2-ylamino]anthracen-1-yl]amino]butyl benzenesulfonate

Systemtic Name: 3-[[9,10-bis(oxidanylidene)-4-[4-(phenylsulfonyloxy)butan-2-ylamino]anthracen-1-yl]amino]butyl benzenesulfonate Openeye Name: 3-[[4-[[3-(benzenesulfonyloxy)-1-methyl-propyl]amino]-9,10-dioxo-1-anthryl]amino]butyl benzenesulfonate CAS Name: benzenesulfonic acid 3-[[4-[4-(benzenesulfonyloxy)butan-2-ylamino]-9,10-dioxo-1-anthracenyl]amino]butyl ester IUPAC Name: 3-[[4-[4-(benzenesulfonyloxy)butan-2-ylamino]-9,10-dioxoanthracen-1-yl]amino]butyl benzenesulfonate Traditional Name: benzenesulfonic acid 3-[[4-[(3-besyloxy-1-methyl-propyl)amino]-9,10-diketo-1-anthryl]amino]butyl ester Formula: C34H34N2O8S2 MolecularWeight: 662.77236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H34N2O8S2/c1-23(19-21-43-45(39,40)25-11-5-3-6-12-25)35-29-17-18-30(32-31(29)33(37)27-15-9-10-16-28(27)34(32)38)36-24(2)20-22-44-46(41,42)26-13-7-4-8-14-26/h3-18,23-24,35-36H,19-22H2,1-2H3