sodium 2-[3-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoylamino]benzenesulfonate

Systemtic Name: sodium 2-[3-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoylamino]benzenesulfonate Openeye Name: sodium 2-[3-[[4-(cyclohexylamino)-9,10-dioxo-1-anthryl]amino]propanoylamino]benzenesulfonate CAS Name: sodium 2-[[3-[[4-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]amino]-1-oxopropyl]amino]benzenesulfonate IUPAC Name: sodium 2-[3-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]propanoylamino]benzenesulfonate Traditional Name: sodium 2-[3-[[4-(cyclohexylamino)-9,10-diketo-1-anthryl]amino]propanoylamino]besylate Formula: C29H28N3NaO6S MolecularWeight: 569.60389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=C(C=C2)NCCC(=O)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O.[Na+]

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=C(C=C2)NCCC(=O)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O.[Na+]

InChI

InChI=1S/C29H29N3O6S.Na/c33-25(32-21-12-6-7-13-24(21)39(36,37)38)16-17-30-22-14-15-23(31-18-8-2-1-3-9-18)27-26(22)28(34)19-10-4-5-11-20(19)29(27)35;/h4-7,10-15,18,30-31H,1-3,8-9,16-17H2,(H,32,33)(H,36,37,38);/q;+1/p-1