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

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(1-ethylpropyl)-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:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=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/c1-4-14(5-2)20-23-24-21(32-20)22-19(27)15-7-9-16(10-8-15)25-33(30,31)17-11-6-13(3)18(12-17)26(28)29/h6-12,14,25H,4-5H2,1-3H3,(H,22,24,27)