(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylpiperidino)sulfonylphenyl]prop-2-en-1-one Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23NO5S/c1-16-10-12-23(13-11-16)29(25,26)19-6-4-18(5-7-19)20(24)8-2-17-3-9-21-22(14-17)28-15-27-21/h2-9,14,16H,10-13,15H2,1H3/b8-2+