tert-butyl 3-[5-[(4-methylphenyl)sulfonylamino]pent-1-ynyl]indazole-1-carboxylate

Systemtic Name: tert-butyl 3-[5-[(4-methylphenyl)sulfonylamino]pent-1-ynyl]indazole-1-carboxylate Openeye Name: tert-butyl 3-[5-(p-tolylsulfonylamino)pent-1-ynyl]indazole-1-carboxylate CAS Name: 3-[5-[(4-methylphenyl)sulfonylamino]pent-1-ynyl]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-[(4-methylphenyl)sulfonylamino]pent-1-ynyl]indazole-1-carboxylate Traditional Name: 3-[5-(tosylamino)pent-1-ynyl]indazole-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC#CC2=NN(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC#CC2=NN(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O4S/c1-18-13-15-19(16-14-18)32(29,30)25-17-9-5-6-11-21-20-10-7-8-12-22(20)27(26-21)23(28)31-24(2,3)4/h7-8,10,12-16,25H,5,9,17H2,1-4H3