2-[3-[bis(methylsulfonyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[3-[bis(methylsulfonyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-[3-[bis(methylsulfonyl)amino]phenyl]-2-(tert-butoxycarbonylamino)acetic acid CAS Name: 2-[3-[bis(methylsulfonyl)amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[3-[bis(methylsulfonyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-[3-(dimesylamino)phenyl]acetic acid Formula: C15H22N2O8S2 MolecularWeight: 422.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)N(S(=O)(=O)C)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)N(S(=O)(=O)C)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C15H22N2O8S2/c1-15(2,3)25-14(20)16-12(13(18)19)10-7-6-8-11(9-10)17(26(4,21)22)27(5,23)24/h6-9,12H,1-5H3,(H,16,20)(H,18,19)