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

Systemtic Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-15-14-16(6-12-20(15)28-2)5-11-19(23)17-7-9-18(10-8-17)29(26,27)22-13-3-4-21(24)25/h5-12,14,22H,3-4,13H2,1-2H3,(H,24,25)/b11-5+