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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-5-p-anisyl-1,3,4-thiadiazole Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N4O5S2/c1-15-3-6-18(26(27)28)14-20(15)33(29,30)25-11-9-17(10-12-25)22-24-23-21(32-22)13-16-4-7-19(31-2)8-5-16/h3-8,14,17H,9-13H2,1-2H3