methyl 3-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H25NO8S/c1-29-20-8-6-17(15-21(20)33(27,28)24-10-12-31-13-11-24)7-9-22(25)32-16-18-4-3-5-19(14-18)23(26)30-2/h3-9,14-15H,10-13,16H2,1-2H3/b9-7+