3-[4-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(4-isopentyloxyphenyl)-3-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-[4-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-isoamoxyphenyl)-3-(tosylamino)propionic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C21H27NO5S/c1-15(2)12-13-27-18-8-6-17(7-9-18)20(14-21(23)24)22-28(25,26)19-10-4-16(3)5-11-19/h4-11,15,20,22H,12-14H2,1-3H3,(H,23,24)