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

Systemtic Name: 2-(cyclopentylmethyl)-5-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-(cyclopentylmethyl)-5-[1-(4-ethoxyphenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(cyclopentylmethyl)-5-[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(cyclopentylmethyl)-5-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(cyclopentylmethyl)-5-(1-p-phenetylsulfonyl-4-piperidyl)-1,3,4-thiadiazole Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4

InChI

InChI=1S/C21H29N3O3S2/c1-2-27-18-7-9-19(10-8-18)29(25,26)24-13-11-17(12-14-24)21-23-22-20(28-21)15-16-5-3-4-6-16/h7-10,16-17H,2-6,11-15H2,1H3