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

Systemtic Name: sodium 3-[5-oxidanyl-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoate Openeye Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-hydroxy-indol-1-yl]propanoate CAS Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-hydroxy-1-indolyl]propanoate IUPAC Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-hydroxyindol-1-yl]propanoate Traditional Name: sodium 3-[3-[2-(benzenesulfonamido)ethyl]-5-hydroxy-indol-1-yl]propionate Formula: C19H19N2NaO5S MolecularWeight: 410.41933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=C2C=C(C=C3)O)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=C2C=C(C=C3)O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H20N2O5S.Na/c22-15-6-7-18-17(12-15)14(13-21(18)11-9-19(23)24)8-10-20-27(25,26)16-4-2-1-3-5-16;/h1-7,12-13,20,22H,8-11H2,(H,23,24);/q;+1/p-1