3-[2-[methyl-(phenylmethyl)sulfonyl-amino]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[methyl-(phenylmethyl)sulfonyl-amino]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[benzylsulfonyl(methyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[methyl-(phenylmethyl)sulfonylamino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[benzylsulfonyl(methyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[benzylsulfonyl(methyl)amino]-4-(phenoxymethyl)phenyl]propionic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-25(31(28,29)18-19-8-4-2-5-9-19)23-16-20(12-13-21(23)14-15-24(26)27)17-30-22-10-6-3-7-11-22/h2-13,16H,14-15,17-18H2,1H3,(H,26,27)