1-[2-(4-chlorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H20ClN2O2S3+ MolecularWeight: 403.9902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19ClN2O2S3/c17-14-3-5-15(6-4-14)22-13-11-18-7-9-19(10-8-18)24(20,21)16-2-1-12-23-16/h1-6,12H,7-11,13H2/p+1