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

Systemtic Name: 3-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate Openeye Name: 3-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoate IUPAC Name: 3-[[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]propionate Formula: C21H22NO7S- MolecularWeight: 432.46688

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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)NCCC(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)[O-])OC

InChI

InChI=1S/C21H23NO7S/c1-3-29-20-14-15(5-11-19(20)28-2)4-10-18(23)16-6-8-17(9-7-16)30(26,27)22-13-12-21(24)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,24,25)/p-1/b10-4+