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

Systemtic Name: 4-[[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-methoxycarbonylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-carbomethoxyphenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C21H21NO7S/c1-29-21(26)17-7-4-15(5-8-17)6-13-19(23)16-9-11-18(12-10-16)30(27,28)22-14-2-3-20(24)25/h4-13,22H,2-3,14H2,1H3,(H,24,25)/b13-6+