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

Systemtic Name: 4-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-bromophenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C19H18BrNO5S MolecularWeight: 452.31892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO5S/c20-16-8-3-14(4-9-16)5-12-18(22)15-6-10-17(11-7-15)27(25,26)21-13-1-2-19(23)24/h3-12,21H,1-2,13H2,(H,23,24)/b12-5+