2-[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

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