propan-2-yl 4-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: isopropyl 4-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]benzoic acid isopropyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-15(2)29-21(26)17-5-7-18(8-6-17)23-20(25)16-9-12-24(13-10-16)30(27,28)19-4-3-11-22-14-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,25)