6-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[[(10-methyl-9-acridin-10-iumyl)-oxomethyl]-(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(10-methylacridin-10-ium-9-carbonyl)-tosyl-amino]hexanoic acid Formula: C28H29N2O5S+ MolecularWeight: 505.60526

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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