2-azanyl-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[2-(p-tolylsulfonyloxy)ethoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(2-tosyloxyethoxy)phenyl]propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC(C(=O)O)N

InChI

InChI=1S/C18H21NO6S/c1-13-2-8-16(9-3-13)26(22,23)25-11-10-24-15-6-4-14(5-7-15)12-17(19)18(20)21/h2-9,17H,10-12,19H2,1H3,(H,20,21)