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

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

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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)OC

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)OC

InChI

InChI=1S/C23H27NO7S/c1-4-5-14-31-21-13-7-17(15-22(21)30-3)6-12-20(25)18-8-10-19(11-9-18)32(28,29)24(2)16-23(26)27/h6-13,15H,4-5,14,16H2,1-3H3,(H,26,27)/b12-6+