[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C(=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C

InChI

InChI=1S/C25H25N3O6S/c1-16-13-22(17(2)28(16)20-9-11-21(12-10-20)35(26,32)33)24(30)15-34-25(31)23(27-18(3)29)14-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,29)(H2,26,32,33)/b23-14+