2-[4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[ethyl(piperonyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H26N4O5S/c1-2-25(15-18-7-8-20-21(13-18)32-17-31-20)16-23(28)26-9-11-27(12-10-26)33(29,30)22-6-4-3-5-19(22)14-24/h3-8,13H,2,9-12,15-17H2,1H3