3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid

Systemtic Name: 3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid Openeye Name: 3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid CAS Name: 3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethylbutanoic acid IUPAC Name: 3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethylbutanoic acid Traditional Name: 3-(3-acetamidopropylsulfonyloxy)-3-(4-methoxyphenyl)-2,2-dimethyl-butyric acid Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OC(C)(C1=CC=C(C=C1)OC)C(C)(C)C(=O)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OC(C)(C1=CC=C(C=C1)OC)C(C)(C)C(=O)O

InChI

InChI=1S/C18H27NO7S/c1-13(20)19-11-6-12-27(23,24)26-18(4,17(2,3)16(21)22)14-7-9-15(25-5)10-8-14/h7-10H,6,11-12H2,1-5H3,(H,19,20)(H,21,22)