(2S)-1-(4-methylphenyl)sulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O6S/c1-13-4-7-16(8-5-13)29(27,28)21-10-2-3-17(21)19(24)20-12-14-11-15(22(25)26)6-9-18(14)23/h4-9,11,17,23H,2-3,10,12H2,1H3,(H,20,24)/t17-/m0/s1