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

Systemtic Name: 2-[[4-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(3-ethoxy-2-propoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(3-ethoxy-2-propoxy-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C23H27NO7S/c1-4-15-31-23-18(7-6-8-21(23)30-5-2)11-14-20(25)17-9-12-19(13-10-17)32(28,29)24(3)16-22(26)27/h6-14H,4-5,15-16H2,1-3H3,(H,26,27)/b14-11+