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

Systemtic Name: 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-[(5-chloro-2-thiophenyl)sulfonyl]-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-[1-[(5-chloro-2-thienyl)sulfonyl]-3-piperidyl]-1,3,4-thiadiazole Formula: C18H18ClN3O2S3 MolecularWeight: 440.00242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18ClN3O2S3/c19-15-8-9-17(25-15)27(23,24)22-10-4-7-14(12-22)18-21-20-16(26-18)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2