(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[5-(acetamidomethyl)-2-thienyl]sulfonylamino]benzoate CAS Name: 2-[[5-(acetamidomethyl)-2-thiophenyl]sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate Traditional Name: 2-[[5-(acetamidomethyl)-2-thienyl]sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C20H24N2O6S2/c1-13(23)21-11-14-9-10-18(29-14)30(26,27)22-16-8-6-5-7-15(16)19(25)28-12-17(24)20(2,3)4/h5-10,22H,11-12H2,1-4H3,(H,21,23)