methyl 1-[2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-besylisonipecotoyl)amino]acetyl]isonipecotic acid methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O6S/c1-30-21(27)17-7-11-23(12-8-17)19(25)15-22-20(26)16-9-13-24(14-10-16)31(28,29)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,22,26)