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

Systemtic Name: 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(4-ethoxyphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-ethoxyphenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-(1-p-phenetylsulfonyl-3-piperidyl)-1,3,4-thiadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-2-28-19-10-12-20(13-11-19)30(26,27)25-14-6-9-18(16-25)22-24-23-21(29-22)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3