2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(2-methoxyphenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C21H22N4O5S2 MolecularWeight: 474.55318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H22N4O5S2/c1-14-7-8-16(25(26)27)13-19(14)32(28,29)24-11-9-15(10-12-24)20-22-23-21(31-20)17-5-3-4-6-18(17)30-2/h3-8,13,15H,9-12H2,1-2H3