3-[(1-tert-butylacridin-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(1-tert-butylacridin-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(1-tert-butylacridine-9-carbonyl)-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[[(1-tert-butyl-9-acridinyl)-oxomethyl]-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(1-tert-butylacridine-9-carbonyl)-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(1-tert-butylacridine-9-carbonyl)-tosyl-amino]propionic acid Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5S/c1-18-12-14-19(15-13-18)36(34,35)30(17-16-24(31)32)27(33)25-20-8-5-6-10-22(20)29-23-11-7-9-21(26(23)25)28(2,3)4/h5-15H,16-17H2,1-4H3,(H,31,32)