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

Systemtic Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Openeye Name: 2-isobutyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-5-(2-methylpropyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S2/c1-12(2)9-17-19-20-18(27-17)14-5-4-8-21(11-14)28(25,26)16-10-15(22(23)24)7-6-13(16)3/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3