3-chloranyl-N-[(2R)-3-methyl-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(2R)-3-methyl-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[(1R)-2-methyl-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]propyl]benzenesulfonamide CAS Name: 3-chloro-N-[(2R)-3-methyl-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[(2R)-3-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1R)-1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]benzenesulfonamide Formula: C21H32ClN4O5S+ MolecularWeight: 488.02058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H31ClN4O5S/c1-16(2)20(23-32(29,30)18-5-3-4-17(22)14-18)21(28)26-8-6-24(7-9-26)15-19(27)25-10-12-31-13-11-25/h3-5,14,16,20,23H,6-13,15H2,1-2H3/p+1/t20-/m1/s1