N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C17H24ClN4O4S+ MolecularWeight: 415.91486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C[NH+]3CCNC(=O)C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C[NH+]3CCNC(=O)C3)Cl

InChI

InChI=1S/C17H23ClN4O4S/c18-14-5-4-13(20-17(24)12-21-9-6-19-16(23)11-21)10-15(14)27(25,26)22-7-2-1-3-8-22/h4-5,10H,1-3,6-9,11-12H2,(H,19,23)(H,20,24)/p+1