(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acrylamide Formula: C22H23ClN2O6S MolecularWeight: 478.94582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23ClN2O6S/c1-2-29-18-7-6-16(13-20(18)32(27,28)25-9-3-4-10-25)24-21(26)8-5-15-11-17(23)22-19(12-15)30-14-31-22/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,24,26)/b8-5+