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

Systemtic Name: 2-[[4-[(E)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(4-methoxy-3-propoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(4-methoxy-3-propoxy-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)O)OC

Isomeric SMILES

CCCOC1=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/C22H25NO7S/c1-4-13-30-21-14-16(6-12-20(21)29-3)5-11-19(24)17-7-9-18(10-8-17)31(27,28)23(2)15-22(25)26/h5-12,14H,4,13,15H2,1-3H3,(H,25,26)/b11-5+