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

Systemtic Name: 2-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(4-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-nitrophenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-(1-nosyl-3-piperidyl)-1,3,4-thiadiazole Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S2/c25-24(26)17-8-10-18(11-9-17)30(27,28)23-12-4-7-16(14-23)20-22-21-19(29-20)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14H2