6-chloranyl-4-(3-morpholin-4-ylpropyl)-3-nitro-2-oxidanyl-benzenesulfonamide

Systemtic Name: 6-chloranyl-4-(3-morpholin-4-ylpropyl)-3-nitro-2-oxidanyl-benzenesulfonamide Openeye Name: 6-chloro-2-hydroxy-4-(3-morpholinopropyl)-3-nitro-benzenesulfonamide CAS Name: 6-chloro-2-hydroxy-4-[3-(4-morpholinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 6-chloro-2-hydroxy-4-(3-morpholin-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 6-chloro-2-hydroxy-4-(3-morpholinopropyl)-3-nitro-benzenesulfonamide Formula: C13H18ClN3O6S MolecularWeight: 379.81652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

Isomeric SMILES

C1COCCN1CCCC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H18ClN3O6S/c14-10-8-9(2-1-3-16-4-6-23-7-5-16)11(17(19)20)12(18)13(10)24(15,21)22/h8,18H,1-7H2,(H2,15,21,22)