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

Systemtic Name: 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(4-ethoxyphenyl)sulfonyl-3-piperidyl]-5-isobutyl-1,3,4-thiadiazole CAS Name: 2-[1-(4-ethoxyphenyl)sulfonyl-3-piperidinyl]-5-(2-methylpropyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole Traditional Name: 2-isobutyl-5-(1-p-phenetylsulfonyl-3-piperidyl)-1,3,4-thiadiazole Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC(C)C

InChI

InChI=1S/C19H27N3O3S2/c1-4-25-16-7-9-17(10-8-16)27(23,24)22-11-5-6-15(13-22)19-21-20-18(26-19)12-14(2)3/h7-10,14-15H,4-6,11-13H2,1-3H3