3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoate

Systemtic Name: 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoate Openeye Name: 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propanoate CAS Name: 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate IUPAC Name: 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]propionate Formula: C17H15F3NO4S- MolecularWeight: 386.36551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S/c18-17(19,20)14-7-4-8-15(11-14)26(24,25)21(10-9-16(22)23)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,23)/p-1