4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-(2-dimethylaminoethyl)phenoxy]-3-mesyl-benzoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H21NO5S/c1-19(2)11-10-13-4-7-15(8-5-13)24-16-9-6-14(18(20)21)12-17(16)25(3,22)23/h4-9,12H,10-11H2,1-3H3,(H,20,21)