3-[5-phenylmethoxy-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-phenylmethoxy-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-benzyloxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-phenylmethoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-phenylmethoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-benzoxy-indol-1-yl]propionic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3CCNS(=O)(=O)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3CCNS(=O)(=O)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H26N2O5S/c29-26(30)14-16-28-18-21(13-15-27-34(31,32)23-9-5-2-6-10-23)24-17-22(11-12-25(24)28)33-19-20-7-3-1-4-8-20/h1-12,17-18,27H,13-16,19H2,(H,29,30)