ethyl 4-(3-methylsulfonyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(3-methylsulfonyl-2-oxidanylidene-4-piperidin-4-yl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-[3-methylsulfonyl-2-oxo-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-methylsulfonyl-2-oxo-4-(4-piperidinyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylsulfonyl-2-oxo-4-piperidin-4-ylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-mesyl-4-(4-piperidyl)benzimidazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C3=CC=CC(=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C3=CC=CC(=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

InChI

InChI=1S/C21H30N4O5S/c1-3-30-21(27)23-13-9-16(10-14-23)24-18-6-4-5-17(15-7-11-22-12-8-15)19(18)25(20(24)26)31(2,28)29/h4-6,15-16,22H,3,7-14H2,1-2H3