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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2,2-dimethyl-3-[methyl-(phenylmethyl)sulfonyl-amino]butanoate Openeye Name: methyl 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butanoate CAS Name: 4-(4-methoxyphenyl)-2,2-dimethyl-3-[methyl-(phenylmethyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethylbutanoate Traditional Name: 3-[benzylsulfonyl(methyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butyric acid methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-22(2,21(24)28-5)20(15-17-11-13-19(27-4)14-12-17)23(3)29(25,26)16-18-9-7-6-8-10-18/h6-14,20H,15-16H2,1-5H3