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

Systemtic Name: methyl 2-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]-methyl-amino]benzoate Openeye Name: methyl 2-[[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]-methyl-amino]benzoate CAS Name: 2-[[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]-methylamino]benzoate Traditional Name: 2-[[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]-methyl-amino]benzoic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H28N2O6S/c1-25(20-10-6-5-9-19(20)24(28)32-3)23(27)14-12-18-11-13-21(31-2)22(17-18)33(29,30)26-15-7-4-8-16-26/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3/b14-12+