N-[2,5-bis(oxidanylidene)-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-tert-butyl-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-tert-butyl-4-chloranyl-3-nitro-benzamide Openeye Name: N-tert-butyl-4-chloro-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-nitro-benzamide CAS Name: N-tert-butyl-4-chloro-N-[2,5-dioxo-1-(4-sulfamoylphenyl)-3-pyrrolidinyl]-3-nitrobenzamide IUPAC Name: N-tert-butyl-4-chloro-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-nitrobenzamide Traditional Name: N-tert-butyl-4-chloro-N-[2,5-diketo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-nitro-benzamide Formula: C21H21ClN4O7S MolecularWeight: 508.93204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O7S/c1-21(2,3)25(19(28)12-4-9-15(22)16(10-12)26(30)31)17-11-18(27)24(20(17)29)13-5-7-14(8-6-13)34(23,32)33/h4-10,17H,11H2,1-3H3,(H2,23,32,33)