5-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid

Systemtic Name: 5-[(10-methylacridin-10-ium-9-yl)carbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid Openeye Name: 5-[(10-methylacridin-10-ium-9-carbonyl)-(p-tolylsulfonyl)amino]pentanoic acid CAS Name: 5-[[(10-methyl-9-acridin-10-iumyl)-oxomethyl]-(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-[(10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-[(10-methylacridin-10-ium-9-carbonyl)-tosyl-amino]valeric acid Formula: C27H27N2O5S+ MolecularWeight: 491.57868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N2O5S/c1-19-14-16-20(17-15-19)35(33,34)29(18-8-7-13-25(30)31)27(32)26-21-9-3-5-11-23(21)28(2)24-12-6-4-10-22(24)26/h3-6,9-12,14-17H,7-8,13,18H2,1-2H3/p+1