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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO5S/c20-16-4-1-3-14(13-16)6-11-18(22)15-7-9-17(10-8-15)27(25,26)21-12-2-5-19(23)24/h1,3-4,6-11,13,21H,2,5,12H2,(H,23,24)/b11-6+