2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazino]sulfonylbenzonitrile Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H24ClN3O4S/c1-17-15-19(23)8-9-20(17)30-14-4-7-22(27)25-10-12-26(13-11-25)31(28,29)21-6-3-2-5-18(21)16-24/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3