(2S)-N-(2-methoxy-4-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2-methoxy-4-nitrophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-methoxy-4-nitrophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-methoxy-4-nitro-phenyl)-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)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O6S/c1-13-5-8-15(9-6-13)29(26,27)21-11-3-4-17(21)19(23)20-16-10-7-14(22(24)25)12-18(16)28-2/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,23)/t17-/m0/s1