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

Systemtic Name: N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H23N5O6S2 MolecularWeight: 505.56722

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S2/c1-14(27)24-34(31,32)17-8-6-16(7-9-17)22-21(33)23-20(28)15-5-10-18(19(13-15)26(29)30)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,24,27)(H2,22,23,28,33)