2-[4-[2-(4-tert-butylphenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-tert-butylphenyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H27N3O3S2/c1-23(2,3)19-8-10-20(11-9-19)30-17-22(27)25-12-14-26(15-13-25)31(28,29)21-7-5-4-6-18(21)16-24/h4-11H,12-15,17H2,1-3H3