azanyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]imino-methanesulfonic acid

Systemtic Name: azanyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]imino-methanesulfonic acid Openeye Name: amino-[3-[1-(tert-butoxycarbonylamino)ethyl]phenyl]imino-methanesulfonic acid CAS Name: amino-[3-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl]iminomethanesulfonic acid IUPAC Name: amino-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]iminomethanesulfonic acid Traditional Name: amino-[3-[1-(tert-butoxycarbonylamino)ethyl]phenyl]imino-methanesulfonic acid Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5S/c1-9(16-13(18)22-14(2,3)4)10-6-5-7-11(8-10)17-12(15)23(19,20)21/h5-9H,1-4H3,(H2,15,17)(H,16,18)(H,19,20,21)