ethyl (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate Openeye Name: ethyl (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate CAS Name: (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxy-1-indolyl)propylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate Traditional Name: (2S)-2-ethoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propionic acid ethyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=C(C=C3)OS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=C(C=C3)OS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C25H32N2O6S/c1-4-31-24(25(28)32-5-2)17-19-7-10-21(11-8-19)26-14-6-15-27-16-13-20-9-12-22(18-23(20)27)33-34(3,29)30/h7-13,16,18,24,26H,4-6,14-15,17H2,1-3H3/t24-/m0/s1