3-[(1-tert-butyl-10-methyl-acridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(1-tert-butyl-10-methyl-acridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(1-tert-butyl-10-methyl-acridin-10-ium-9-carbonyl)-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[[(1-tert-butyl-10-methyl-9-acridin-10-iumyl)-oxomethyl]-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(1-tert-butyl-10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(1-tert-butyl-10-methyl-acridin-10-ium-9-carbonyl)-tosyl-amino]propionic acid Formula: C29H31N2O5S+ MolecularWeight: 519.63184

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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(=[N+](C4=CC=CC=C42)C)C=CC=C3C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C(=O)C2=C3C(=[N+](C4=CC=CC=C42)C)C=CC=C3C(C)(C)C

InChI

InChI=1S/C29H30N2O5S/c1-19-13-15-20(16-14-19)37(35,36)31(18-17-25(32)33)28(34)26-21-9-6-7-11-23(21)30(5)24-12-8-10-22(27(24)26)29(2,3)4/h6-16H,17-18H2,1-5H3/p+1