ethyl (E)-2-cyano-3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]acrylic acid ethyl ester Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)/C#N

InChI

InChI=1S/C16H18N4O4S/c1-2-24-16(21)12(10-17)11-19-13-5-3-6-14(9-13)25(22,23)20-15-7-4-8-18-15/h3,5-6,9,11,19H,2,4,7-8H2,1H3,(H,18,20)/p+1/b12-11+