ethyl 4-[butyl-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[butyl-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[butyl-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-amino]benzoate CAS Name: 4-[butyl-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[butyl-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-amino]benzoic acid ethyl ester Formula: C18H24ClN3O4S MolecularWeight: 413.91886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(N(N=C2C)C)Cl

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C18H24ClN3O4S/c1-5-7-12-22(15-10-8-14(9-11-15)18(23)26-6-2)27(24,25)16-13(3)20-21(4)17(16)19/h8-11H,5-7,12H2,1-4H3