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

Systemtic Name: 2-(2-methylpropyl)-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-isobutyl-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-methylpropyl)-5-[1-(2-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylpropyl)-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-12(2)10-16-18-19-17(26-16)13-6-5-9-20(11-13)27(24,25)15-8-4-3-7-14(15)21(22)23/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3