tert-butyl 5-(3-chloranylpropylsulfonylamino)-3-(2-phenylethanoylamino)indazole-1-carboxylate

Systemtic Name: tert-butyl 5-(3-chloranylpropylsulfonylamino)-3-(2-phenylethanoylamino)indazole-1-carboxylate Openeye Name: tert-butyl 5-(3-chloropropylsulfonylamino)-3-[(2-phenylacetyl)amino]indazole-1-carboxylate CAS Name: 5-(3-chloropropylsulfonylamino)-3-[(1-oxo-2-phenylethyl)amino]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-chloropropylsulfonylamino)-3-[(2-phenylacetyl)amino]indazole-1-carboxylate Traditional Name: 5-(3-chloropropylsulfonylamino)-3-[(2-phenylacetyl)amino]indazole-1-carboxylic acid tert-butyl ester Formula: C23H27ClN4O5S MolecularWeight: 507.00228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NS(=O)(=O)CCCCl)C(=N1)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NS(=O)(=O)CCCCl)C(=N1)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN4O5S/c1-23(2,3)33-22(30)28-19-11-10-17(27-34(31,32)13-7-12-24)15-18(19)21(26-28)25-20(29)14-16-8-5-4-6-9-16/h4-6,8-11,15,27H,7,12-14H2,1-3H3,(H,25,26,29)