benzenesulfonic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine

Systemtic Name: benzenesulfonic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine Openeye Name: benzenesulfonic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine CAS Name: benzenesulfonic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine IUPAC Name: benzenesulfonic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine Traditional Name: besylic acid; 2-[[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-yl]amino]guanidine Formula: C21H23ClN6O3S MolecularWeight: 474.96372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(CC(C2)C3=CC=CC=C3Cl)NN=C(N)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NN=C2C1=C(CC(C2)C3=CC=CC=C3Cl)NN=C(N)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H17ClN6.C6H6O3S/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16;7-10(8,9)6-4-2-1-3-5-6/h2-5,9,21H,6-7H2,1H3,(H4,17,18,22);1-5H,(H,7,8,9)