2-(4-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[1-(p-tolylsulfonyl)-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(4-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-(4-methoxyphenyl)-5-(1-tosyl-3-piperidyl)-1,3,4-thiadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N3O3S2/c1-15-5-11-19(12-6-15)29(25,26)24-13-3-4-17(14-24)21-23-22-20(28-21)16-7-9-18(27-2)10-8-16/h5-12,17H,3-4,13-14H2,1-2H3