[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C21H30N4O7S MolecularWeight: 482.5505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H30N4O7S/c1-2-31-21(28)24-10-7-17(8-11-24)23-19(26)15-32-20(27)16-5-12-25(13-6-16)33(29,30)18-4-3-9-22-14-18/h3-4,9,14,16-17H,2,5-8,10-13,15H2,1H3,(H,23,26)