[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-14-4-3-5-16(12-14)25-11-10-20-18(21)13-26-19(22)15-6-8-17(9-7-15)27(2,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)