N-(3-nitrophenyl)-5-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-nitrophenyl)-5-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-nitrophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(3-nitrophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-nitrophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 5-keto-1-mesitylsulfonyl-N-(3-nitrophenyl)pyrrolidine-2-carboxamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O6S/c1-12-9-13(2)19(14(3)10-12)30(28,29)22-17(7-8-18(22)24)20(25)21-15-5-4-6-16(11-15)23(26)27/h4-6,9-11,17H,7-8H2,1-3H3,(H,21,25)