2-(4-sulfamoylphenoxy)ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-15(2)14-25-16(3)11-18(17(25)4)12-19(13-23)22(26)30-10-9-29-20-5-7-21(8-6-20)31(24,27)28/h5-8,11-12,15H,9-10,14H2,1-4H3,(H2,24,27,28)/b19-12+