tert-butyl 3-[3-[(4-sulfamoylphenyl)amino]-1H-pyrazol-5-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[(4-sulfamoylphenyl)amino]-1H-pyrazol-5-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]indole-1-carboxylate CAS Name: 3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]indole-1-carboxylate Traditional Name: 3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]indole-1-carboxylic acid tert-butyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H23N5O4S/c1-22(2,3)31-21(28)27-13-17(16-6-4-5-7-19(16)27)18-12-20(26-25-18)24-14-8-10-15(11-9-14)32(23,29)30/h4-13H,1-3H3,(H2,23,29,30)(H2,24,25,26)