2-[4-[2-[cycloheptyl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[cycloheptyl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[cycloheptyl(methyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[cycloheptyl(methyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[cycloheptyl(methyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[cycloheptyl(methyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCCC3

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCCC3

InChI

InChI=1S/C21H30N4O3S/c1-23(19-9-4-2-3-5-10-19)17-21(26)24-12-14-25(15-13-24)29(27,28)20-11-7-6-8-18(20)16-22/h6-8,11,19H,2-5,9-10,12-15,17H2,1H3