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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2CCCCC2=O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O[C@H]2CCCCC2=O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25NO7S/c1-26-18-8-6-15(7-9-20(23)28-17-5-3-2-4-16(17)22)14-19(18)29(24,25)21-10-12-27-13-11-21/h6-9,14,17H,2-5,10-13H2,1H3/b9-7+/t17-/m0/s1