4-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: N-[5-[(4-isopropylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: N-[5-(4-isopropylsulfonylbenzyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-12(2)31(28,29)16-8-5-14(6-9-16)10-18-22-23-20(30-18)21-19(25)15-7-4-13(3)17(11-15)24(26)27/h4-9,11-12H,10H2,1-3H3,(H,21,23,25)