2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-2-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-2-methyl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-2-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butyric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)N(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C(=O)O)N(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O6S/c1-4-22(2,21(26)27)24(31(28,29)19-12-10-18(30-3)11-13-19)16-20(25)23-15-14-17-8-6-5-7-9-17/h5-13H,4,14-16H2,1-3H3,(H,23,25)(H,26,27)