2-[6-[4-[(4-bromophenyl)sulfonyl-methyl-amino]phenoxy]hexyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[6-[4-[(4-bromophenyl)sulfonyl-methyl-amino]phenoxy]hexyl-methyl-amino]ethanoic acid Openeye Name: 2-[6-[4-[(4-bromophenyl)sulfonyl-methyl-amino]phenoxy]hexyl-methyl-amino]acetic acid CAS Name: 2-[6-[4-[(4-bromophenyl)sulfonyl-methylamino]phenoxy]hexyl-methylamino]acetic acid IUPAC Name: 2-[6-[4-[(4-bromophenyl)sulfonyl-methylamino]phenoxy]hexyl-methylamino]acetic acid Traditional Name: 2-[6-[4-[brosyl(methyl)amino]phenoxy]hexyl-methyl-amino]acetic acid Formula: C22H29BrN2O5S MolecularWeight: 513.44506

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)O

Isomeric SMILES

CN(CCCCCCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)O

InChI

InChI=1S/C22H29BrN2O5S/c1-24(17-22(26)27)15-5-3-4-6-16-30-20-11-9-19(10-12-20)25(2)31(28,29)21-13-7-18(23)8-14-21/h7-14H,3-6,15-17H2,1-2H3,(H,26,27)