5-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]sulfamoyl]-2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Systemtic Name: 5-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]sulfamoyl]-2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Openeye Name: 2-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]sulfamoyl]benzenesulfonate CAS Name: 2-[[4-(diethylamino)phenyl]-(4-diethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-5-[[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]sulfamoyl]benzenesulfonate IUPAC Name: 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]sulfamoyl]benzenesulfonate Traditional Name: 2-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-5-[(6-keto-6-succinimidooxy-hexyl)sulfamoyl]besylate Formula: C37H46N4O9S2 MolecularWeight: 754.91254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)S(=O)(=O)[O-]

InChI

InChI=1S/C37H46N4O9S2/c1-5-39(6-2)29-17-13-27(14-18-29)37(28-15-19-30(20-16-28)40(7-3)8-4)32-22-21-31(26-33(32)52(47,48)49)51(45,46)38-25-11-9-10-12-36(44)50-41-34(42)23-24-35(41)43/h13-22,26,38H,5-12,23-25H2,1-4H3