3-[9-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate

Systemtic Name: 3-[9-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Openeye Name: 3-[9-[(4-hydroxy-4-oxo-butyl)-(p-tolylsulfonyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate CAS Name: 3-[9-[[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-oxomethyl]-10-acridin-10-iumyl]-1-propanesulfonate IUPAC Name: 3-[9-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylcarbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Traditional Name: 3-[9-[(4-hydroxy-4-keto-butyl)-tosyl-carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Formula: C28H28N2O8S2 MolecularWeight: 584.66052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H28N2O8S2/c1-20-13-15-21(16-14-20)40(37,38)30(18-6-12-26(31)32)28(33)27-22-8-2-4-10-24(22)29(17-7-19-39(34,35)36)25-11-5-3-9-23(25)27/h2-5,8-11,13-16H,6-7,12,17-19H2,1H3,(H-,31,32,34,35,36)