methyl 1-[2-(benzimidazol-1-yl)ethylsulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(benzimidazol-1-yl)ethylsulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(benzimidazol-1-yl)ethylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[2-(1-benzimidazolyl)ethylsulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzimidazol-1-yl)ethylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(benzimidazol-1-yl)ethylsulfonyl]isonipecotic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)CCN2C=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)CCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H21N3O4S/c1-23-16(20)13-6-8-19(9-7-13)24(21,22)11-10-18-12-17-14-4-2-3-5-15(14)18/h2-5,12-13H,6-11H2,1H3