methyl 3-[(2,2-dimethylpropanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(2,2-dimethylpropanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(2,2-dimethylpropanoylamino)methyl]-5-(2-thienylsulfonylamino)benzoate CAS Name: 3-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(2,2-dimethylpropanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3-[(pivaloylamino)methyl]-5-(2-thienylsulfonylamino)benzoic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O5S2/c1-18(2,3)17(22)19-11-12-8-13(16(21)25-4)10-14(9-12)20-27(23,24)15-6-5-7-26-15/h5-10,20H,11H2,1-4H3,(H,19,22)