sodium 3-[5-methoxy-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoate

Systemtic Name: sodium 3-[5-methoxy-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoate Openeye Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-methoxy-indol-1-yl]propanoate CAS Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-methoxy-1-indolyl]propanoate IUPAC Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-methoxyindol-1-yl]propanoate Traditional Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-methoxy-indol-1-yl]propionate Formula: C20H21N2NaO5S MolecularWeight: 424.44591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C20H22N2O5S.Na/c1-27-16-7-8-19-18(13-16)15(14-22(19)12-10-20(23)24)9-11-21-28(25,26)17-5-3-2-4-6-17;/h2-8,13-14,21H,9-12H2,1H3,(H,23,24);/q;+1/p-1