2-[[4-[(E)-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(E)-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(3-ethoxy-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(3-ethoxy-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(3-ethoxy-2-methoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(3-ethoxy-2-methoxy-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C21H23NO7S/c1-4-29-19-7-5-6-16(21(19)28-3)10-13-18(23)15-8-11-17(12-9-15)30(26,27)22(2)14-20(24)25/h5-13H,4,14H2,1-3H3,(H,24,25)/b13-10+