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

Systemtic Name: 2-[[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O)OCC

InChI

InChI=1S/C24H29NO7S/c1-4-6-15-32-22-14-8-18(16-23(22)31-5-2)7-13-21(26)19-9-11-20(12-10-19)33(29,30)25(3)17-24(27)28/h7-14,16H,4-6,15,17H2,1-3H3,(H,27,28)/b13-7+