N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-methyl-3-nitro-phenyl)pyrrolidine-2-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O5S/c1-13-11-14(2)20(15(3)12-13)30(28,29)23-10-6-9-19(23)21(25)22-17-7-5-8-18(16(17)4)24(26)27/h5,7-8,11-12,19H,6,9-10H2,1-4H3,(H,22,25)