propan-2-yl 4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(3-pyridylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(3-pyridinylsulfonylamino)propyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]benzoate Traditional Name: 4-[3-(3-pyridylsulfonylamino)propanoylamino]benzoic acid isopropyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-13(2)26-18(23)14-5-7-15(8-6-14)21-17(22)9-11-20-27(24,25)16-4-3-10-19-12-16/h3-8,10,12-13,20H,9,11H2,1-2H3,(H,21,22)