[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-mesylphenyl)methanone Formula: C17H20ClN2O3S2+ MolecularWeight: 399.9353

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN2O3S2/c1-25(22,23)15-5-2-13(3-6-15)17(21)20-10-8-19(9-11-20)12-14-4-7-16(18)24-14/h2-7H,8-12H2,1H3/p+1