N-(2-chlorophenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-chlorophenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-chlorophenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-chlorophenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-chlorophenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H21ClN3O3S2+ MolecularWeight: 414.94994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20ClN3O3S2/c18-14-4-1-2-5-15(14)19-16(22)7-8-20-9-11-21(12-10-20)26(23,24)17-6-3-13-25-17/h1-6,13H,7-12H2,(H,19,22)/p+1