(E)-3-(4-ethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-p-phenetyl-N-(3-pyrrolidinosulfonylphenyl)acrylamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O4S/c1-2-27-19-11-8-17(9-12-19)10-13-21(24)22-18-6-5-7-20(16-18)28(25,26)23-14-3-4-15-23/h5-13,16H,2-4,14-15H2,1H3,(H,22,24)/b13-10+