2-chloranyl-N-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-methyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-methyl-5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-methyl-5-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C17H21ClN3O3S2+ MolecularWeight: 414.94994

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)Cl

InChI

InChI=1S/C17H20ClN3O3S2/c1-19-26(23,24)16-10-14(2-3-15(16)18)17(22)21-7-5-20(6-8-21)11-13-4-9-25-12-13/h2-4,9-10,12,19H,5-8,11H2,1H3/p+1