4-[3,5-bis(chloranyl)phenyl]sulfanyl-3-piperazin-1-ylsulfonyl-benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]sulfanyl-3-piperazin-1-ylsulfonyl-benzenecarbonitrile Openeye Name: 4-(3,5-dichlorophenyl)sulfanyl-3-piperazin-1-ylsulfonyl-benzonitrile CAS Name: 4-[(3,5-dichlorophenyl)thio]-3-(1-piperazinylsulfonyl)benzonitrile IUPAC Name: 4-(3,5-dichlorophenyl)sulfanyl-3-piperazin-1-ylsulfonylbenzonitrile Traditional Name: 4-[(3,5-dichlorophenyl)thio]-3-piperazinosulfonyl-benzonitrile Formula: C17H15Cl2N3O2S2 MolecularWeight: 428.3559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O2S2/c18-13-8-14(19)10-15(9-13)25-16-2-1-12(11-20)7-17(16)26(23,24)22-5-3-21-4-6-22/h1-2,7-10,21H,3-6H2