2-(2-methylpropyl)-5-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-methylpropyl)-5-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-isobutyl-5-[1-[(2-methyl-8-quinolyl)sulfonyl]-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-methylpropyl)-5-[1-[(2-methyl-8-quinolinyl)sulfonyl]-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylpropyl)-5-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-[1-[(2-methyl-8-quinolyl)sulfonyl]-3-piperidyl]-1,3,4-thiadiazole Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCCC(C3)C4=NN=C(S4)CC(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCCC(C3)C4=NN=C(S4)CC(C)C)C=C1

InChI

InChI=1S/C21H26N4O2S2/c1-14(2)12-19-23-24-21(28-19)17-7-5-11-25(13-17)29(26,27)18-8-4-6-16-10-9-15(3)22-20(16)18/h4,6,8-10,14,17H,5,7,11-13H2,1-3H3