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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4

InChI

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