3-[4-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl]propanoic acid Openeye Name: 3-[4-[acridine-9-carbonyl(p-tolylsulfonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[9-acridinyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[acridine-9-carbonyl-(4-methylphenyl)sulfonylamino]phenyl]propanoic acid Traditional Name: 3-[4-[acridine-9-carbonyl(tosyl)amino]phenyl]propionic acid Formula: C30H24N2O5S MolecularWeight: 524.58696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)CCC(=O)O)C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)CCC(=O)O)C(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C30H24N2O5S/c1-20-10-17-23(18-11-20)38(36,37)32(22-15-12-21(13-16-22)14-19-28(33)34)30(35)29-24-6-2-4-8-26(24)31-27-9-5-3-7-25(27)29/h2-13,15-18H,14,19H2,1H3,(H,33,34)