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

Systemtic Name: 6-[(4-bromophenyl)sulfonyl-(10-methylacridin-10-ium-9-yl)carbonyl-amino]hexanoic acid Openeye Name: 6-[(4-bromophenyl)sulfonyl-(10-methylacridin-10-ium-9-carbonyl)amino]hexanoic acid CAS Name: 6-[(4-bromophenyl)sulfonyl-[(10-methyl-9-acridin-10-iumyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-bromophenyl)sulfonyl-(10-methylacridin-10-ium-9-carbonyl)amino]hexanoic acid Traditional Name: 6-[brosyl-(10-methylacridin-10-ium-9-carbonyl)amino]hexanoic acid Formula: C27H26BrN2O5S+ MolecularWeight: 570.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)N(CCCCCC(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H25BrN2O5S/c1-29-23-11-6-4-9-21(23)26(22-10-5-7-12-24(22)29)27(33)30(18-8-2-3-13-25(31)32)36(34,35)20-16-14-19(28)15-17-20/h4-7,9-12,14-17H,2-3,8,13,18H2,1H3/p+1