3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H31NO6S/c1-5-24(6-2)15-16-30-20-9-7-18(8-10-20)17-23(3,22(25)26)31(27,28)21-13-11-19(29-4)12-14-21/h7-14H,5-6,15-17H2,1-4H3,(H,25,26)