(E)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(2,4-dimethoxyphenyl)acrylamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H23ClN2O5S/c1-28-17-8-5-15(19(14-17)29-2)6-10-21(25)23-16-7-9-18(22)20(13-16)30(26,27)24-11-3-4-12-24/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b10-6+