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

Systemtic Name: 2-(4-methoxyphenyl)-5-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(4-methoxyphenyl)-5-[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-27-17-7-5-15(6-8-17)20-22-23-21(29-20)16-4-3-13-24(14-16)30(25,26)19-11-9-18(28-2)10-12-19/h5-12,16H,3-4,13-14H2,1-2H3