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

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S2/c1-24(2,3)20-11-13-21(14-12-20)31(28,29)27-15-7-10-19(17-27)23-26-25-22(30-23)16-18-8-5-4-6-9-18/h4-6,8-9,11-14,19H,7,10,15-17H2,1-3H3