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

Systemtic Name: 2-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O)OC

InChI

InChI=1S/C20H21NO6S/c1-14-12-15(5-11-19(14)27-3)4-10-18(22)16-6-8-17(9-7-16)28(25,26)21(2)13-20(23)24/h4-12H,13H2,1-3H3,(H,23,24)/b10-4+