2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanenitrile

Systemtic Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanenitrile Openeye Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-butanenitrile CAS Name: 2-[2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylbutanenitrile IUPAC Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-3-methylbutanenitrile Traditional Name: 2-[2-[4-(4-chlorophenyl)piperazino]sulfonylphenyl]-3-methyl-butyronitrile Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C#N)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-16(2)20(15-23)19-5-3-4-6-21(19)28(26,27)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h3-10,16,20H,11-14H2,1-2H3