butyl 4-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]benzoic acid butyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-2-3-15-30-22(27)18-6-8-19(9-7-18)24-21(26)17-10-13-25(14-11-17)31(28,29)20-5-4-12-23-16-20/h4-9,12,16-17H,2-3,10-11,13-15H2,1H3,(H,24,26)