N-[(2R)-3-(dimethylamino)-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: N-[(2R)-3-(dimethylamino)-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: N-[(2R)-3-(dimethylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2R)-3-(dimethylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CN(C)C[C@H](CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H23N3O6S/c1-19(2)12-15(22)13-20(28(25,26)16-7-5-4-6-8-16)17-11-14(21(23)24)9-10-18(17)27-3/h4-11,15,22H,12-13H2,1-3H3/t15-/m1/s1