4-[4-(2-acetamidoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-(2-acetamidoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-[4-(2-acetamidoethyl)phenoxy]-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-[4-(2-acetamidoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-[4-(2-acetamidoethyl)phenoxy]-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-[4-(2-acetamidoethyl)phenoxy]-5-mesyl-2-methyl-benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)CCNC(=O)C

InChI

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