[(1R)-1-cyanoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C=CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H20N2O6S/c1-13(12-18)25-17(20)6-4-14-3-5-15(23-2)16(11-14)26(21,22)19-7-9-24-10-8-19/h3-6,11,13H,7-10H2,1-2H3/b6-4+/t13-/m1/s1