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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO5S/c20-17-5-2-1-4-14(17)9-12-18(22)15-7-10-16(11-8-15)27(25,26)21-13-3-6-19(23)24/h1-2,4-5,7-12,21H,3,6,13H2,(H,23,24)/b12-9+