tert-butyl 2-[[4-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoate

Systemtic Name: tert-butyl 2-[[4-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoate Openeye Name: tert-butyl 2-[[4-[(2-hydroxy-4-methyl-benzoyl)amino]phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-[[(2-hydroxy-4-methylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]sulfonylamino]propanoate Traditional Name: 2-[[4-[(2-hydroxy-4-methyl-benzoyl)amino]phenyl]sulfonylamino]propionic acid tert-butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H26N2O6S/c1-13-6-11-17(18(24)12-13)19(25)22-15-7-9-16(10-8-15)30(27,28)23-14(2)20(26)29-21(3,4)5/h6-12,14,23-24H,1-5H3,(H,22,25)