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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole Openeye Name: 2-(benzyloxymethyl)-5-[1-(p-tolylsulfonyl)-2-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole Traditional Name: 2-(benzoxymethyl)-5-(1-tosyl-2-piperidyl)-1,3,4-thiadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=NN=C(S3)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=NN=C(S3)COCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-17-10-12-19(13-11-17)30(26,27)25-14-6-5-9-20(25)22-24-23-21(29-22)16-28-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3