4-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)OC

InChI

InChI=1S/C22H25NO7S/c1-3-30-21-15-16(7-13-20(21)29-2)6-12-19(24)17-8-10-18(11-9-17)31(27,28)23-14-4-5-22(25)26/h6-13,15,23H,3-5,14H2,1-2H3,(H,25,26)/b12-6+