sodium 1-[4-(2-indol-1-ylethoxy)phenyl]-2-methoxy-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 1-[4-(2-indol-1-ylethoxy)phenyl]-2-methoxy-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 1-[4-(2-indol-1-ylethoxy)phenyl]-2-methoxy-2-oxo-ethanesulfonate CAS Name: sodium 1-[4-[2-(1-indolyl)ethoxy]phenyl]-2-methoxy-2-oxoethanesulfonate IUPAC Name: sodium 1-[4-(2-indol-1-ylethoxy)phenyl]-2-methoxy-2-oxoethanesulfonate Traditional Name: sodium 1-[4-(2-indol-1-ylethoxy)phenyl]-2-keto-2-methoxy-ethanesulfonate Formula: C19H18NNaO6S MolecularWeight: 411.40409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H19NO6S.Na/c1-25-19(21)18(27(22,23)24)15-6-8-16(9-7-15)26-13-12-20-11-10-14-4-2-3-5-17(14)20;/h2-11,18H,12-13H2,1H3,(H,22,23,24);/q;+1/p-1