2-[4-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-chloro-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-chloro-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H30ClN4O5S+ MolecularWeight: 486.0047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

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