(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(3-pyrrolidinosulfonylphenyl)acrylamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-28-19-13-15(12-18(22)21(19)29-2)8-9-20(25)23-16-6-5-7-17(14-16)30(26,27)24-10-3-4-11-24/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,25)/b9-8+