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

Systemtic Name: 4-[[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(o-tolyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(o-tolyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-15-5-2-3-6-16(15)10-13-19(22)17-8-11-18(12-9-17)27(25,26)21-14-4-7-20(23)24/h2-3,5-6,8-13,21H,4,7,14H2,1H3,(H,23,24)/b13-10+