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

Systemtic Name: 2-ethyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-ethyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-ethyl-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-ethyl-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-ethyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NN=C(S1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O4S2/c1-3-15-17-18-16(25-15)12-6-8-19(9-7-12)26(23,24)14-10-13(20(21)22)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3