2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H22N4O4S/c21-15-11-19(10-7-17-15)12-16(22)18-13-3-5-14(6-4-13)25(23,24)20-8-1-2-9-20/h3-6H,1-2,7-12H2,(H,17,21)(H,18,22)/p+1