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

Systemtic Name: 2-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]amino]terephthalic acid Formula: C23H24N2O8S MolecularWeight: 488.51026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O8S/c1-33-19-9-5-15(13-20(19)34(31,32)25-11-3-2-4-12-25)6-10-21(26)24-18-14-16(22(27)28)7-8-17(18)23(29)30/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)(H,27,28)(H,29,30)/b10-6+