2-methoxy-2-methyl-3-[4-(3-methylbutoxy)phenyl]-3-(phenylsulfonyl)propanoic acid; propan-2-amine

Systemtic Name: 2-methoxy-2-methyl-3-[4-(3-methylbutoxy)phenyl]-3-(phenylsulfonyl)propanoic acid; propan-2-amine Openeye Name: 3-(benzenesulfonyl)-3-(4-isopentyloxyphenyl)-2-methoxy-2-methyl-propanoic acid; propan-2-amine CAS Name: 3-(benzenesulfonyl)-2-methoxy-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid; 2-propanamine IUPAC Name: 3-(benzenesulfonyl)-2-methoxy-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid; propan-2-amine Traditional Name: 3-besyl-3-(4-isoamoxyphenyl)-2-methoxy-2-methyl-propionic acid; isopropylamine Formula: C25H37NO6S MolecularWeight: 479.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(C(C)(C(=O)O)OC)S(=O)(=O)C2=CC=CC=C2.CC(C)N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(C(C)(C(=O)O)OC)S(=O)(=O)C2=CC=CC=C2.CC(C)N

InChI

InChI=1S/C22H28O6S.C3H9N/c1-16(2)14-15-28-18-12-10-17(11-13-18)20(22(3,27-4)21(23)24)29(25,26)19-8-6-5-7-9-19;1-3(2)4/h5-13,16,20H,14-15H2,1-4H3,(H,23,24);3H,4H2,1-2H3