2-[4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[methyl(1,2,2-trimethylpropyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[methyl(1,2,2-trimethylpropyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-16(20(2,3)4)22(5)15-19(25)23-10-12-24(13-11-23)28(26,27)18-9-7-6-8-17(18)14-21/h6-9,16H,10-13,15H2,1-5H3