4-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(4-piperonylpiperidino)sulfonylbenzonitrile Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H20N2O4S/c21-13-16-1-4-18(5-2-16)27(23,24)22-9-7-15(8-10-22)11-17-3-6-19-20(12-17)26-14-25-19/h1-6,12,15H,7-11,14H2