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

Systemtic Name: 2-cyclopentyl-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-cyclopentyl-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-cyclopentyl-5-[1-(2-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-cyclopentyl-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-cyclopentyl-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S2/c23-22(24)15-9-3-4-10-16(15)28(25,26)21-11-5-8-14(12-21)18-20-19-17(27-18)13-6-1-2-7-13/h3-4,9-10,13-14H,1-2,5-8,11-12H2