2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]-5-isobutyl-1,3,4-thiadiazole CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-piperidinyl]-5-(2-methylpropyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Traditional Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]-5-isobutyl-1,3,4-thiadiazole Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CC1=NN=C(S1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H31N3O2S2/c1-15(2)13-19-22-23-20(27-19)16-7-6-12-24(14-16)28(25,26)18-10-8-17(9-11-18)21(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3