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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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