2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]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)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

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