8-(2-azanylpropanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

Systemtic Name: 8-(2-azanylpropanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide Openeye Name: 8-(2-aminopropanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide CAS Name: 8-[(2-amino-1-oxopropyl)amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide IUPAC Name: 8-(2-aminopropanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide Traditional Name: 8-(alanylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenz[g]indazole-3-carboxamide Formula: C21H22N6O4S MolecularWeight: 454.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC3=C2N(N=C3C(=O)N)C4=CC=C(C=C4)S(=O)(=O)N)C=C1)N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC3=C2N(N=C3C(=O)N)C4=CC=C(C=C4)S(=O)(=O)N)C=C1)N

InChI

InChI=1S/C21H22N6O4S/c1-11(22)21(29)25-13-4-2-12-3-9-16-18(20(23)28)26-27(19(16)17(12)10-13)14-5-7-15(8-6-14)32(24,30)31/h2,4-8,10-11H,3,9,22H2,1H3,(H2,23,28)(H,25,29)(H2,24,30,31)