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

Systemtic Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-[4-(furan-2-yl)phenyl]sulfonyl-2-methyl-propanoic acid Openeye Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-[4-(2-furyl)phenyl]sulfonyl-2-methyl-propanoic acid CAS Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-[4-(2-furanyl)phenyl]sulfonyl-2-methylpropanoic acid IUPAC Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-[4-(furan-2-yl)phenyl]sulfonyl-2-methylpropanoic acid Traditional Name: 3-[4-(2-diethylaminoethyloxy)phenyl]-2-[4-(2-furyl)phenyl]sulfonyl-2-methyl-propionic acid Formula: C26H31NO6S MolecularWeight: 485.59244

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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)C3=CC=CO3

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CO3

InChI

InChI=1S/C26H31NO6S/c1-4-27(5-2)16-18-32-22-12-8-20(9-13-22)19-26(3,25(28)29)34(30,31)23-14-10-21(11-15-23)24-7-6-17-33-24/h6-15,17H,4-5,16,18-19H2,1-3H3,(H,28,29)