N-[(3-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CS3

InChI

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