N-(2,4-dimethyl-6-nitro-phenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2,4-dimethyl-6-nitro-phenyl)pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2,4-dimethyl-6-nitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2,4-dimethyl-6-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-(2,4-dimethyl-6-nitro-phenyl)pyrrolidine-2-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O5S/c1-13-11-14(2)18(17(12-13)22(24)25)20-19(23)16-9-6-10-21(16)28(26,27)15-7-4-3-5-8-15/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,20,23)