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

Systemtic Name: 2-[[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(4-butoxyphenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-3-4-15-29-19-10-5-17(6-11-19)7-14-21(24)18-8-12-20(13-9-18)30(27,28)23(2)16-22(25)26/h5-14H,3-4,15-16H2,1-2H3,(H,25,26)/b14-7+