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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-16-10-11-20(13-17(16)2)29(26,27)25-12-6-9-19(15-25)22-24-23-21(28-22)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3