(E)-3-(1,3-benzodioxol-4-yl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-4-yl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-4-yl)-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-4-yl)-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H21NO5S/c23-19(12-9-17-5-4-6-20-21(17)27-15-26-20)16-7-10-18(11-8-16)28(24,25)22-13-2-1-3-14-22/h4-12H,1-3,13-15H2/b12-9+