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

Systemtic Name: 2-cyclopropyl-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-cyclopropyl-5-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-cyclopropyl-5-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-cyclopropyl-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-cyclopropyl-5-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S2/c21-20(22)13-2-1-3-14(10-13)26(23,24)19-8-6-12(7-9-19)16-18-17-15(25-16)11-4-5-11/h1-3,10-12H,4-9H2