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

Systemtic Name: 2-[4-[2-[(phenylmethyl)-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[allyl(benzyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[(phenylmethyl)-prop-2-enylamino]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[benzyl(prop-2-enyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[allyl(benzyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-2-12-25(18-20-8-4-3-5-9-20)19-23(28)26-13-15-27(16-14-26)31(29,30)22-11-7-6-10-21(22)17-24/h2-11H,1,12-16,18-19H2