methyl 3-(3-methylsulfonyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)azetidine-1-carboxylate

Systemtic Name: methyl 3-(3-methylsulfonyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)azetidine-1-carboxylate Openeye Name: methyl 3-[3-methylsulfonyl-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]azetidine-1-carboxylate CAS Name: 3-[3-methylsulfonyl-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methylsulfonyl-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl)azetidine-1-carboxylate Traditional Name: 3-[2-keto-3-mesyl-4-(4-piperidyl)benzimidazol-1-yl]azetidine-1-carboxylic acid methyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC(C1)N2C3=CC=CC(=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

Isomeric SMILES

COC(=O)N1CC(C1)N2C3=CC=CC(=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

InChI

InChI=1S/C18H24N4O5S/c1-27-18(24)20-10-13(11-20)21-15-5-3-4-14(12-6-8-19-9-7-12)16(15)22(17(21)23)28(2,25)26/h3-5,12-13,19H,6-11H2,1-2H3