[3-(dimethylsulfamoyl)phenyl]methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H27N3O4S/c1-6-10-25-16(2)11-19(17(25)3)13-20(14-23)22(26)29-15-18-8-7-9-21(12-18)30(27,28)24(4)5/h7-9,11-13H,6,10,15H2,1-5H3/b20-13+