2-methyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-methyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-methyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-methyl-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-methyl-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-methyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C

InChI

InChI=1S/C15H18N4O4S2/c1-10-5-6-13(19(20)21)8-14(10)25(22,23)18-7-3-4-12(9-18)15-17-16-11(2)24-15/h5-6,8,12H,3-4,7,9H2,1-2H3