2-methoxy-5-[[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7S/c1-32-20-9-7-18(14-19(20)24(28)29)16-25-23(27)11-8-17-6-10-21(33-2)22(15-17)34(30,31)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,27)(H,28,29)/b11-8+