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

Systemtic Name: 2-(2-methylpropyl)-5-[1-(3-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-isobutyl-5-[1-(3-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-methylpropyl)-5-[1-(3-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-methylpropyl)-5-[1-(3-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-[1-(3-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)9-16-18-19-17(26-16)13-5-4-8-20(11-13)27(24,25)15-7-3-6-14(10-15)21(22)23/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3