(E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acrylamide Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6S/c1-27-18-8-6-16(30(25,26)23-10-2-3-11-23)13-17(18)22-21(24)9-5-15-4-7-19-20(12-15)29-14-28-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,22,24)/b9-5+