3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)propanamide

Systemtic Name: 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)propanamide Openeye Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(4-cyanophenyl)propanamide CAS Name: 3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(4-cyanophenyl)propanamide IUPAC Name: 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)propanamide Traditional Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(4-cyanophenyl)propionamide Formula: C18H20ClN4O3S2+ MolecularWeight: 439.9594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN4O3S2/c19-16-5-6-18(27-16)28(25,26)23-11-9-22(10-12-23)8-7-17(24)21-15-3-1-14(13-20)2-4-15/h1-6H,7-12H2,(H,21,24)/p+1