[(E)-1-[(4-bromophenyl)sulfonylamino]-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl] benzoate

Systemtic Name: [(E)-1-[(4-bromophenyl)sulfonylamino]-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl] benzoate Openeye Name: [(E)-1-[[(4-bromophenyl)sulfonylamino]methyl]-4-ethoxy-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-1-[(4-bromophenyl)sulfonylamino]-5-ethoxy-5-oxopent-3-en-2-yl] ester IUPAC Name: [(E)-1-[(4-bromophenyl)sulfonylamino]-5-ethoxy-5-oxopent-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-[(brosylamino)methyl]-4-ethoxy-4-keto-but-2-enyl] ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CNS(=O)(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(CNS(=O)(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20BrNO6S/c1-2-27-19(23)13-10-17(28-20(24)15-6-4-3-5-7-15)14-22-29(25,26)18-11-8-16(21)9-12-18/h3-13,17,22H,2,14H2,1H3/b13-10+