3-(4-tert-butylphenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid Openeye Name: 3-(benzylsulfonylamino)-3-(4-tert-butylphenyl)propanoic acid CAS Name: 3-(4-tert-butylphenyl)-3-[(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: 3-(benzylsulfonylamino)-3-(4-tert-butylphenyl)propanoic acid Traditional Name: 3-(benzylsulfonylamino)-3-(4-tert-butylphenyl)propionic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S/c1-20(2,3)17-11-9-16(10-12-17)18(13-19(22)23)21-26(24,25)14-15-7-5-4-6-8-15/h4-12,18,21H,13-14H2,1-3H3,(H,22,23)