4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-3-4-5-6-19-23-24-21(32-19)22-20(27)15-8-10-16(11-9-15)25-33(30,31)17-12-7-14(2)18(13-17)26(28)29/h7-13,25H,3-6H2,1-2H3,(H,22,24,27)