(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-thiophen-2-ylsulfonyl-2-piperidinyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]acrylamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCNC(=O)C=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C(C1)CCNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O5S2/c24-20(9-7-16-6-8-18-19(14-16)28-15-27-18)22-11-10-17-4-1-2-12-23(17)30(25,26)21-5-3-13-29-21/h3,5-9,13-14,17H,1-2,4,10-12,15H2,(H,22,24)/b9-7+