[1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl]methyl 6-chloranyl-1H-benzimidazole-4-carboxylate

Systemtic Name: [1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl]methyl 6-chloranyl-1H-benzimidazole-4-carboxylate Openeye Name: [1-[2-(methanesulfonamido)ethyl]-4-piperidyl]methyl 6-chloro-1H-benzimidazole-4-carboxylate CAS Name: 6-chloro-1H-benzimidazole-4-carboxylic acid [1-[2-(methanesulfonamido)ethyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 6-chloro-1H-benzimidazole-4-carboxylate Traditional Name: 6-chloro-1H-benzimidazole-4-carboxylic acid [1-[2-(methanesulfonamido)ethyl]-4-piperidyl]methyl ester Formula: C17H23ClN4O4S MolecularWeight: 414.90692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2N=CN3)Cl

Isomeric SMILES

CS(=O)(=O)NCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2N=CN3)Cl

InChI

InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)