(4-acetamidophenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-sulfonate

Systemtic Name: (4-acetamidophenyl) 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-sulfonate Openeye Name: (4-acetamidophenyl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrrole-2-sulfonate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-sulfonate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrrole-2-sulfonic acid (4-acetamidophenyl) ester Formula: C18H13ClF3N3O4S MolecularWeight: 459.82673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3N3O4S/c1-11(26)24-13-4-6-14(7-5-13)29-30(27,28)16-3-2-8-25(16)17-15(19)9-12(10-23-17)18(20,21)22/h2-10H,1H3,(H,24,26)