2-[4-[2-[ethyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[ethyl-(phenylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[ethyl-(phenylmethyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O3S/c1-2-24(17-19-8-4-3-5-9-19)18-22(27)25-12-14-26(15-13-25)30(28,29)21-11-7-6-10-20(21)16-23/h3-11H,2,12-15,17-18H2,1H3