3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-benzyl-3-[1-(benzylsulfonylamino)-2-methyl-propyl]-4H-isoxazole-5-carboxylic acid CAS Name: 3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-benzyl-3-[1-(benzylsulfonylamino)-2-methylpropyl]-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-benzyl-3-[1-(benzylsulfonylamino)-2-methyl-propyl]-2-isoxazoline-5-carboxylic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-16(2)20(24-30(27,28)15-18-11-7-4-8-12-18)19-14-22(21(25)26,29-23-19)13-17-9-5-3-6-10-17/h3-12,16,20,24H,13-15H2,1-2H3,(H,25,26)