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

Systemtic Name: 5-(5-azanylpentylsulfamoyl)-2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzenesulfonate Openeye Name: 5-(5-aminopentylsulfamoyl)-2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzenesulfonate CAS Name: 5-(5-aminopentylsulfamoyl)-2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzenesulfonate IUPAC Name: 5-(5-aminopentylsulfamoyl)-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate Traditional Name: 5-(5-aminopentylsulfamoyl)-2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]besylate Formula: C32H42N4O6S2 MolecularWeight: 642.82908

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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)NCCCCCN)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)NCCCCCN)S(=O)(=O)[O-]

InChI

InChI=1S/C32H42N4O6S2/c1-5-35(6-2)23-12-15-26-29(20-23)42-30-21-24(36(7-3)8-4)13-16-27(30)32(26)28-17-14-25(22-31(28)44(39,40)41)43(37,38)34-19-11-9-10-18-33/h12-17,20-22,34H,5-11,18-19,33H2,1-4H3