ethyl (E)-2-cyano-3-[4-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]phenyl]acrylic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C=C(C#N)C(=O)OCC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C25H27N3O6S/c1-3-19-7-8-20(16-23(19)35(31,32)28-11-13-33-14-12-28)24(29)27-22-9-5-18(6-10-22)15-21(17-26)25(30)34-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,27,29)/b21-15+