N-(2-methoxy-5-nitro-phenyl)-4-methyl-N-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-methyl-N-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-3-pyrrolidin-1-yl-propyl)-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide Traditional Name: N-(2-hydroxy-3-pyrrolidino-propyl)-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCC2)O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCCC2)O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O6S/c1-16-5-8-19(9-6-16)31(28,29)23(15-18(25)14-22-11-3-4-12-22)20-13-17(24(26)27)7-10-21(20)30-2/h5-10,13,18,25H,3-4,11-12,14-15H2,1-2H3