2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3-chlorophenyl)methylthio]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3-chlorobenzyl)thio]-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H20ClN3O5S2 MolecularWeight: 469.9622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5S2/c20-16-4-1-3-15(11-16)13-29-14-19(24)21-7-9-22(10-8-21)30(27,28)18-6-2-5-17(12-18)23(25)26/h1-6,11-12H,7-10,13-14H2