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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(phenylsulfonyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)-1-piperidyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperidinyl]-3-(1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-besylpiperidino)prop-2-en-1-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5S/c23-21(9-7-16-6-8-19-20(14-16)27-15-26-19)22-12-10-18(11-13-22)28(24,25)17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b9-7+