2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonic acid Openeye Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonic acid CAS Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-[(4-methyl-1-piperazinyl)sulfonyl]benzenesulfonic acid IUPAC Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonic acid Traditional Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(4-methylpiperazino)sulfonyl-besylic acid Formula: C32H42N4O6S2 MolecularWeight: 642.82908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)N5CCN(CC5)C)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)N5CCN(CC5)C)S(=O)(=O)O

InChI

InChI=1S/C32H42N4O6S2/c1-6-34(7-2)23-10-13-26-29(20-23)42-30-21-24(35(8-3)9-4)11-14-27(30)32(26)28-15-12-25(22-31(28)44(39,40)41)43(37,38)36-18-16-33(5)17-19-36/h10-15,20-22,32H,6-9,16-19H2,1-5H3,(H,39,40,41)