4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-[4-(4-chlorophenyl)sulfonylpiperazino]-3-keto-propyl]benzonitrile Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-18-6-8-19(9-7-18)28(26,27)24-13-11-23(12-14-24)20(25)10-5-16-1-3-17(15-22)4-2-16/h1-4,6-9H,5,10-14H2