2-[4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(2-chloro-5-piperidinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H30ClN4O4S+ MolecularWeight: 470.0053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H29ClN4O4S/c22-19-7-6-17(31(29,30)26-8-2-1-3-9-26)14-18(19)21(28)25-12-10-24(11-13-25)15-20(27)23-16-4-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,23,27)/p+1