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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)N=C(N)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)N=C(N)S(=O)(=O)O

InChI

InChI=1S/C14H21N3O5S/c1-14(2,3)22-13(18)16-8-7-10-5-4-6-11(9-10)17-12(15)23(19,20)21/h4-6,9H,7-8H2,1-3H3,(H2,15,17)(H,16,18)(H,19,20,21)