(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O7S/c1-28-18-7-5-17(15-19(18)31(26,27)23-11-13-29-14-12-23)6-8-21(25)30-16-20(24)22-9-3-2-4-10-22/h5-8,15H,2-4,9-14,16H2,1H3/b8-6+