4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonylbenzonitrile Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18ClN3O2S/c1-14-2-5-16(19)12-18(14)21-8-10-22(11-9-21)25(23,24)17-6-3-15(13-20)4-7-17/h2-7,12H,8-11H2,1H3