2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-[2-(methylsulfonylthio)ethylsulfamoyl]benzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-[2-(mesylthio)ethylsulfamoyl]besylate Formula: C30H37N3O8S4 MolecularWeight: 695.89008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-]

InChI

InChI=1S/C30H37N3O8S4/c1-6-32(7-2)21-10-13-24-27(18-21)41-28-19-22(33(8-3)9-4)11-14-25(28)30(24)26-15-12-23(20-29(26)45(38,39)40)44(36,37)31-16-17-42-43(5,34)35/h10-15,18-20,31H,6-9,16-17H2,1-5H3