azanyl-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imino-methanesulfonic acid

Systemtic Name: azanyl-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imino-methanesulfonic acid Openeye Name: amino-[3-[(tert-butoxycarbonylamino)methyl]-4-methoxy-phenyl]imino-methanesulfonic acid CAS Name: amino-[4-methoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]iminomethanesulfonic acid IUPAC Name: amino-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]iminomethanesulfonic acid Traditional Name: amino-[3-[(tert-butoxycarbonylamino)methyl]-4-methoxy-phenyl]imino-methanesulfonic acid Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)N=C(N)S(=O)(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)N=C(N)S(=O)(=O)O)OC

InChI

InChI=1S/C14H21N3O6S/c1-14(2,3)23-13(18)16-8-9-7-10(5-6-11(9)22-4)17-12(15)24(19,20)21/h5-7H,8H2,1-4H3,(H2,15,17)(H,16,18)(H,19,20,21)