2-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[(E)-3-(4-bromophenyl)acryloyl]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO5S/c1-20(12-18(22)23)26(24,25)16-9-5-14(6-10-16)17(21)11-4-13-2-7-15(19)8-3-13/h2-11H,12H2,1H3,(H,22,23)/b11-4+