methyl 4-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]oxybenzoate

Systemtic Name: methyl 4-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]oxybenzoate Openeye Name: methyl 4-[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]oxybenzoate CAS Name: 4-[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]oxybenzoic acid methyl ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25NO7S/c1-29-20-12-6-17(16-21(20)32(27,28)24-14-4-3-5-15-24)7-13-22(25)31-19-10-8-18(9-11-19)23(26)30-2/h6-13,16H,3-5,14-15H2,1-2H3/b13-7+