6-[[10-methyl-1-(phenylmethyl)acridin-10-ium-9-yl]carbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[[10-methyl-1-(phenylmethyl)acridin-10-ium-9-yl]carbonyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[(1-benzyl-10-methyl-acridin-10-ium-9-carbonyl)-(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[[[10-methyl-1-(phenylmethyl)-9-acridin-10-iumyl]-oxomethyl]-(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(1-benzyl-10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(1-benzyl-10-methyl-acridin-10-ium-9-carbonyl)-tosyl-amino]hexanoic acid Formula: C35H35N2O5S+ MolecularWeight: 595.7278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)O)C(=O)C2=C3C(=[N+](C4=CC=CC=C42)C)C=CC=C3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)O)C(=O)C2=C3C(=[N+](C4=CC=CC=C42)C)C=CC=C3CC5=CC=CC=C5

InChI

InChI=1S/C35H34N2O5S/c1-25-19-21-28(22-20-25)43(41,42)37(23-10-4-7-18-32(38)39)35(40)34-29-15-8-9-16-30(29)36(2)31-17-11-14-27(33(31)34)24-26-12-5-3-6-13-26/h3,5-6,8-9,11-17,19-22H,4,7,10,18,23-24H2,1-2H3/p+1