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

Systemtic Name: 2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-[1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-28-18-10-11-19(29-2)20(14-18)31(26,27)25-12-6-9-17(15-25)22-24-23-21(30-22)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17H,6,9,12-13,15H2,1-2H3