4-(4-methoxyphenyl)-2,2-dimethyl-3-[methyl-(phenylmethyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-(4-methoxyphenyl)-2,2-dimethyl-3-[methyl-(phenylmethyl)sulfonyl-amino]butanoic acid Openeye Name: 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid CAS Name: 4-(4-methoxyphenyl)-2,2-dimethyl-3-[methyl-(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethylbutanoic acid Traditional Name: 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butyric acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=CC=C(C=C1)OC)N(C)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(CC1=CC=C(C=C1)OC)N(C)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-21(2,20(23)24)19(14-16-10-12-18(27-4)13-11-16)22(3)28(25,26)15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,23,24)