1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C16H20ClN2O2S3+ MolecularWeight: 403.9902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H19ClN2O2S3/c1-22-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)24(20,21)16-7-6-15(17)23-16/h2-7H,8-12H2,1H3/p+1