ethyl 4-[4-[(pyridin-3-ylcarbonylamino)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(pyridin-3-ylcarbonylamino)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(pyridine-3-carbonylamino)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(pyridine-3-carbonylamino)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(nicotinamidocarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O6S/c1-2-31-21(28)16-5-7-18(8-6-16)32(29,30)25-12-9-15(10-13-25)19(26)23-24-20(27)17-4-3-11-22-14-17/h3-8,11,14-15H,2,9-10,12-13H2,1H3,(H,23,26)(H,24,27)