[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H25NO6S/c1-17-3-4-18(2)21(15-17)22(25)16-30-23(26)10-7-19-5-8-20(9-6-19)31(27,28)24-11-13-29-14-12-24/h3-10,15H,11-14,16H2,1-2H3/b10-7+