N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c1-13(26)23-33(30,31)16-7-5-15(6-8-16)21-20(32)22-19(27)14-4-9-17(18(12-14)25(28)29)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,23,26)(H2,21,22,27,32)