2-[4-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(4-chloro-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(4-chloro-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H28ClN4O5S+ MolecularWeight: 471.97812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H27ClN4O5S/c21-17-4-1-15(13-18(17)31(28,29)25-9-11-30-12-10-25)20(27)24-7-5-23(6-8-24)14-19(26)22-16-2-3-16/h1,4,13,16H,2-3,5-12,14H2,(H,22,26)/p+1