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

Systemtic Name: 2-(cyclopentylmethyl)-5-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-(cyclopentylmethyl)-5-[1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(cyclopentylmethyl)-5-[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(cyclopentylmethyl)-5-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(cyclopentylmethyl)-5-[1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4)C

InChI

InChI=1S/C21H29N3O2S2/c1-15-7-8-19(13-16(15)2)28(25,26)24-11-9-18(10-12-24)21-23-22-20(27-21)14-17-5-3-4-6-17/h7-8,13,17-18H,3-6,9-12,14H2,1-2H3