ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C20H28N4O6S2 MolecularWeight: 484.58952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1S(=O)(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1S(=O)(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H28N4O6S2/c1-4-30-20(25)18-15(3)21-22-19(18)31(26,27)23-16-10-9-14(2)17(13-16)32(28,29)24-11-7-5-6-8-12-24/h9-10,13,23H,4-8,11-12H2,1-3H3,(H,21,22)