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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(p-tolylsulfonyl)-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-(1-tosyl-3-piperidyl)-1,3,4-thiadiazole Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-16-9-11-19(12-10-16)28(25,26)24-13-5-8-18(15-24)21-23-22-20(27-21)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3