2-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(4-bromophenyl)sulfonyl-3-piperidyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(1-brosyl-3-piperidyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c1-27-17-8-4-14(5-9-17)19-22-23-20(28-19)15-3-2-12-24(13-15)29(25,26)18-10-6-16(21)7-11-18/h4-11,15H,2-3,12-13H2,1H3