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

Systemtic Name: 2-(1-butylsulfonylpiperidin-4-yl)-5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazole Openeye Name: 2-(1-butylsulfonyl-4-piperidyl)-5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazole CAS Name: 2-(1-butylsulfonyl-4-piperidinyl)-5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazole IUPAC Name: 2-(1-butylsulfonylpiperidin-4-yl)-5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazole Traditional Name: 2-(1-butylsulfonyl-4-piperidyl)-5-p-anisyl-1,3,4-thiadiazole Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C2=NN=C(S2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C2=NN=C(S2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H27N3O3S2/c1-3-4-13-27(23,24)22-11-9-16(10-12-22)19-21-20-18(26-19)14-15-5-7-17(25-2)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3