3-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(10-methylacridin-10-ium-9-carbonyl)-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[[(10-methyl-9-acridin-10-iumyl)-oxomethyl]-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(10-methylacridin-10-ium-9-carbonyl)-tosyl-amino]propionic acid Formula: C25H23N2O5S+ MolecularWeight: 463.52552

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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=CC=CC3=[N+](C4=CC=CC=C42)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C

InChI

InChI=1S/C25H22N2O5S/c1-17-11-13-18(14-12-17)33(31,32)27(16-15-23(28)29)25(30)24-19-7-3-5-9-21(19)26(2)22-10-6-4-8-20(22)24/h3-14H,15-16H2,1-2H3/p+1