[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H20ClN3O6S MolecularWeight: 489.9287

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20ClN3O6S/c23-19-7-6-18(33(29,30)26-8-10-31-11-9-26)13-20(19)25-21(27)15-32-22(28)17(14-24)12-16-4-2-1-3-5-16/h1-7,12-13H,8-11,15H2,(H,25,27)/b17-12+