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

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[p-tolylsulfonyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]amino]propanoic acid CAS Name: 3-[(4-methylphenyl)sulfonyl-[oxo-[10-(3-sulfopropyl)-9-acridin-10-iumyl]methyl]amino]propanoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]amino]propanoic acid Traditional Name: 3-[[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]-tosyl-amino]propionic acid Formula: C27H27N2O8S2+ MolecularWeight: 571.64188

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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)CCCS(=O)(=O)O

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)CCCS(=O)(=O)O

InChI

InChI=1S/C27H26N2O8S2/c1-19-11-13-20(14-12-19)39(36,37)29(17-15-25(30)31)27(32)26-21-7-2-4-9-23(21)28(16-6-18-38(33,34)35)24-10-5-3-8-22(24)26/h2-5,7-14H,6,15-18H2,1H3,(H-,30,31,33,34,35)/p+1