1,3-benzodioxol-5-yl-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(E)-styryl]sulfonyl-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(E)-2-phenylethenyl]sulfonyl-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(E)-styryl]sulfonyl-3-piperidyl]methanone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5S/c23-21(17-8-9-19-20(13-17)27-15-26-19)18-7-4-11-22(14-18)28(24,25)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,18H,4,7,11,14-15H2/b12-10+/t18-/m1/s1