N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-oxidanyl-propyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-oxidanyl-propyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxy-propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-3-(2,5-dimethyl-1-pyrrolidinyl)-2-hydroxypropyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(2R)-3-(2,5-dimethylpyrrolidino)-2-hydroxy-propyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1CC(CNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O)C

Isomeric SMILES

CC1CCC(N1C[C@H](CNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H25N3O5S/c1-11-4-7-15(8-16(11)19(21)22)25(23,24)17-9-14(20)10-18-12(2)5-6-13(18)3/h4,7-8,12-14,17,20H,5-6,9-10H2,1-3H3/t12?,13?,14-/m0/s1