ethyl 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]propanoate

Systemtic Name: ethyl 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]propanoate Openeye Name: ethyl 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)allyl]amino]phenyl]propanoate CAS Name: 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)prop-2-enyl]amino]phenyl]propanoate Traditional Name: 2-methoxy-3-[4-[[(E)-3-(3-methylsulfonyloxyphenyl)allyl]amino]phenyl]propionic acid ethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NCC=CC2=CC(=CC=C2)OS(=O)(=O)C)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC/C=C/C2=CC(=CC=C2)OS(=O)(=O)C)OC

InChI

InChI=1S/C22H27NO6S/c1-4-28-22(24)21(27-2)16-18-10-12-19(13-11-18)23-14-6-8-17-7-5-9-20(15-17)29-30(3,25)26/h5-13,15,21,23H,4,14,16H2,1-3H3/b8-6+