methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate CAS Name: 4-[[3-[(4-tert-butylphenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-21(2,3)16-7-11-18(12-8-16)29(26,27)22-14-13-19(24)23-17-9-5-15(6-10-17)20(25)28-4/h5-12,22H,13-14H2,1-4H3,(H,23,24)