methyl 5-tert-butyl-3-[(2-nitrophenyl)methylsulfonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[(2-nitrophenyl)methylsulfonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[(2-nitrophenyl)methylsulfonylamino]thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[(2-nitrophenyl)methylsulfonylamino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(2-nitrophenyl)methylsulfonylamino]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-[(2-nitrobenzyl)sulfonylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6S2/c1-17(2,3)14-9-12(15(26-14)16(20)25-4)18-27(23,24)10-11-7-5-6-8-13(11)19(21)22/h5-9,18H,10H2,1-4H3