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

Systemtic Name: 2-[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Openeye Name: 2-isobutyl-5-[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinyl]-5-(2-methylpropyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-[1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC(C)C

InChI

InChI=1S/C19H27N3O3S2/c1-13(2)10-18-20-21-19(26-18)15-6-5-9-22(12-15)27(23,24)17-11-14(3)7-8-16(17)25-4/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3