(E)-3-(2,6-dimethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2,6-dimethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(2,6-dimethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide CAS Name: (E)-3-(2,6-dimethoxyphenyl)-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2,6-dimethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(2,6-dimethoxyphenyl)-N-(4-pyrrolidinosulfonylbenzyl)acrylamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C=CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)/C=C/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O5S/c1-28-20-6-5-7-21(29-2)19(20)12-13-22(25)23-16-17-8-10-18(11-9-17)30(26,27)24-14-3-4-15-24/h5-13H,3-4,14-16H2,1-2H3,(H,23,25)/b13-12+