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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC1CCCCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H30N4O3S/c1-23(16-18-7-3-2-4-8-18)17-21(26)24-11-13-25(14-12-24)29(27,28)20-10-6-5-9-19(20)15-22/h5-6,9-10,18H,2-4,7-8,11-14,16-17H2,1H3