(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(2,3-dimethoxyphenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidinosulfonylphenyl)acrylamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-27-19-10-5-7-16(21(19)28-2)11-12-20(24)22-17-8-6-9-18(15-17)29(25,26)23-13-3-4-14-23/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,24)/b12-11+