methyl 4-[4-(2-acetamidoethyl)phenoxy]-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[4-(2-acetamidoethyl)phenoxy]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(2-acetamidoethyl)phenoxy]-3-methylsulfonyl-benzoate CAS Name: 4-[4-(2-acetamidoethyl)phenoxy]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-acetamidoethyl)phenoxy]-3-methylsulfonylbenzoate Traditional Name: 4-[4-(2-acetamidoethyl)phenoxy]-3-mesyl-benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-13(21)20-11-10-14-4-7-16(8-5-14)26-17-9-6-15(19(22)25-2)12-18(17)27(3,23)24/h4-9,12H,10-11H2,1-3H3,(H,20,21)