2-[(4-methoxyphenyl)sulfonyl-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]amino]-2-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]amino]-2-methyl-butanoic acid Openeye Name: 2-[[3-(benzylamino)-3-oxo-propyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[3-oxo-3-[(phenylmethyl)amino]propyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[3-(benzylamino)-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]-2-methylbutanoic acid Traditional Name: 2-[[3-(benzylamino)-3-keto-propyl]-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-butyric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C(=O)O)N(CCC(=O)NCC1=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)15-14-20(25)23-16-17-8-6-5-7-9-17/h5-13H,4,14-16H2,1-3H3,(H,23,25)(H,26,27)