(2S)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27N3O7S/c1-15-6-8-17(9-7-15)33(29,30)24-12-4-5-18(24)22(26)23-11-10-16-13-20(31-2)21(32-3)14-19(16)25(27)28/h6-9,13-14,18H,4-5,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1