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

Systemtic Name: 3-[[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(2-bromophenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C18H16BrNO5S MolecularWeight: 438.29234

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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)NCCC(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO5S/c19-16-4-2-1-3-13(16)7-10-17(21)14-5-8-15(9-6-14)26(24,25)20-12-11-18(22)23/h1-10,20H,11-12H2,(H,22,23)/b10-7+