2-[(4-methoxyphenyl)sulfonyl-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]-2-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]-2-methyl-butanoic acid Openeye Name: 2-[[2-(benzylamino)-1-methyl-2-oxo-ethyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[1-(benzylamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]-2-methylbutanoic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-1-methyl-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(C(C)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C(=O)O)N(C(C)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O6S/c1-5-22(3,21(26)27)24(31(28,29)19-13-11-18(30-4)12-14-19)16(2)20(25)23-15-17-9-7-6-8-10-17/h6-14,16H,5,15H2,1-4H3,(H,23,25)(H,26,27)