N-(4-methylphenyl)-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)-4-nitro-benzenesulfonamide chloride

Systemtic Name: N-(4-methylphenyl)-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)-4-nitro-benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-nitro-N-(p-tolyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(4-methylphenyl)-4-nitrobenzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-nitro-N-(p-tolyl)benzenesulfonamide chloride Formula: C20H26ClN3O6S MolecularWeight: 471.95494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H25N3O6S.ClH/c1-16-2-4-17(5-3-16)22(15-19(24)14-21-10-12-29-13-11-21)30(27,28)20-8-6-18(7-9-20)23(25)26;/h2-9,19,24H,10-15H2,1H3;1H