5-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid

Systemtic Name: 5-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid Openeye Name: 5-[acridine-9-carbonyl(p-tolylsulfonyl)amino]pentanoic acid CAS Name: 5-[[9-acridinyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-[acridine-9-carbonyl-(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-[acridine-9-carbonyl(tosyl)amino]valeric acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCC(=O)O)C(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCC(=O)O)C(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C26H24N2O5S/c1-18-13-15-19(16-14-18)34(32,33)28(17-7-6-12-24(29)30)26(31)25-20-8-2-4-10-22(20)27-23-11-5-3-9-21(23)25/h2-5,8-11,13-16H,6-7,12,17H2,1H3,(H,29,30)