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

Systemtic Name: methyl 4-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26N2O6S/c1-30-20-12-6-17(16-21(20)32(28,29)25-14-4-3-5-15-25)7-13-22(26)24-19-10-8-18(9-11-19)23(27)31-2/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)/b13-7+