methyl 3-[(pyridin-2-ylcarbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(pyridin-2-ylcarbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(pyridine-2-carbonylamino)methyl]-5-(2-thienylsulfonylamino)benzoate CAS Name: 3-[[[oxo(2-pyridinyl)methyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(pyridine-2-carbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3-(picolinamidomethyl)-5-(2-thienylsulfonylamino)benzoic acid methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H17N3O5S2/c1-27-19(24)14-9-13(12-21-18(23)16-5-2-3-7-20-16)10-15(11-14)22-29(25,26)17-6-4-8-28-17/h2-11,22H,12H2,1H3,(H,21,23)