N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C18H22ClN5O3S3 MolecularWeight: 488.04698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NN=C(S3)NC4CC4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NN=C(S3)NC4CC4)Cl

InChI

InChI=1S/C18H22ClN5O3S3/c19-14-7-6-13(10-15(14)30(26,27)24-8-2-1-3-9-24)20-16(25)11-28-18-23-22-17(29-18)21-12-4-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,20,25)(H,21,22)