ethyl 3-[methylsulfonyl-(6-pyrrol-1-ylpyridin-3-yl)carbonyl-amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-(6-pyrrol-1-ylpyridin-3-yl)carbonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-(6-pyrrol-1-ylpyridine-3-carbonyl)amino]benzoate CAS Name: 3-[methylsulfonyl-[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-(6-pyrrol-1-ylpyridine-3-carbonyl)amino]benzoate Traditional Name: 3-[mesyl-(6-pyrrol-1-ylnicotinoyl)amino]benzoic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CN=C(C=C2)N3C=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CN=C(C=C2)N3C=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O5S/c1-3-28-20(25)15-7-6-8-17(13-15)23(29(2,26)27)19(24)16-9-10-18(21-14-16)22-11-4-5-12-22/h4-14H,3H2,1-2H3