6-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[acridine-9-carbonyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[[9-acridinyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[acridine-9-carbonyl-(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[acridine-9-carbonyl(tosyl)amino]hexanoic acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5S/c1-19-14-16-20(17-15-19)35(33,34)29(18-8-2-3-13-25(30)31)27(32)26-21-9-4-6-11-23(21)28-24-12-7-5-10-22(24)26/h4-7,9-12,14-17H,2-3,8,13,18H2,1H3,(H,30,31)