2-[4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(2-chloro-5-pyrrolidinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C21H30ClN4O5S+ MolecularWeight: 486.0047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H29ClN4O5S/c22-19-4-3-17(32(29,30)26-5-1-2-6-26)15-18(19)21(28)25-9-7-23(8-10-25)16-20(27)24-11-13-31-14-12-24/h3-4,15H,1-2,5-14,16H2/p+1