2-[4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CCCC4)C

InChI

InChI=1S/C23H29N5O3S2/c1-17-18(2)28(20-8-4-5-9-20)23(25-17)32-16-22(29)26-11-13-27(14-12-26)33(30,31)21-10-6-3-7-19(21)15-24/h3,6-7,10,20H,4-5,8-9,11-14,16H2,1-2H3