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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O5S2/c1-14-5-8-17(25(26)27)12-19(14)32(28,29)24-11-3-4-16(13-24)21-23-22-20(31-21)15-6-9-18(30-2)10-7-15/h5-10,12,16H,3-4,11,13H2,1-2H3