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

Systemtic Name: methyl (2S)-2-methoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate Openeye Name: methyl (2S)-2-methoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate CAS Name: (2S)-2-methoxy-3-[4-[3-(6-methylsulfonyloxy-1-indolyl)propylamino]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-methoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoate Traditional Name: (2S)-2-methoxy-3-[4-[3-(6-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propionic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=C(C=C3)OS(=O)(=O)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-29-22(23(26)30-2)15-17-5-8-19(9-6-17)24-12-4-13-25-14-11-18-7-10-20(16-21(18)25)31-32(3,27)28/h5-11,14,16,22,24H,4,12-13,15H2,1-3H3/t22-/m0/s1