4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C17H21ClN3O3S2+ MolecularWeight: 414.94994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

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