azanyl-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-methyl-phenyl]imino-methanesulfonic acid

Systemtic Name: azanyl-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-methyl-phenyl]imino-methanesulfonic acid Openeye Name: amino-[3-[[bis(tert-butoxycarbonyl)amino]methyl]-2-methyl-phenyl]imino-methanesulfonic acid CAS Name: amino-[3-[[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-methylphenyl]iminomethanesulfonic acid IUPAC Name: amino-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-methylphenyl]iminomethanesulfonic acid Traditional Name: amino-[3-[[bis(tert-butoxycarbonyl)amino]methyl]-2-methyl-phenyl]imino-methanesulfonic acid Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C(N)S(=O)(=O)O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1N=C(N)S(=O)(=O)O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H29N3O7S/c1-12-13(9-8-10-14(12)21-15(20)30(25,26)27)11-22(16(23)28-18(2,3)4)17(24)29-19(5,6)7/h8-10H,11H2,1-7H3,(H2,20,21)(H,25,26,27)