2-[4-[2-[cyclopropyl(2-methylpropyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[cyclopropyl(2-methylpropyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[cyclopropyl(isobutyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[cyclopropyl(2-methylpropyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[cyclopropyl(isobutyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CC3

Isomeric SMILES

CC(C)CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CC3

InChI

InChI=1S/C20H28N4O3S/c1-16(2)14-23(18-7-8-18)15-20(25)22-9-11-24(12-10-22)28(26,27)19-6-4-3-5-17(19)13-21/h3-6,16,18H,7-12,14-15H2,1-2H3