azanyl-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-piperidin-1-yl-phenyl]imino-methanesulfonic acid

Systemtic Name: azanyl-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-piperidin-1-yl-phenyl]imino-methanesulfonic acid Openeye Name: amino-[3-[[bis(tert-butoxycarbonyl)amino]methyl]-4-(1-piperidyl)phenyl]imino-methanesulfonic acid CAS Name: amino-[3-[[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-(1-piperidinyl)phenyl]iminomethanesulfonic acid IUPAC Name: amino-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-piperidin-1-ylphenyl]iminomethanesulfonic acid Traditional Name: amino-[3-[[bis(tert-butoxycarbonyl)amino]methyl]-4-piperidino-phenyl]imino-methanesulfonic acid Formula: C23H36N4O7S MolecularWeight: 512.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)N=C(N)S(=O)(=O)O)N2CCCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)N=C(N)S(=O)(=O)O)N2CCCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N4O7S/c1-22(2,3)33-20(28)27(21(29)34-23(4,5)6)15-16-14-17(25-19(24)35(30,31)32)10-11-18(16)26-12-8-7-9-13-26/h10-11,14H,7-9,12-13,15H2,1-6H3,(H2,24,25)(H,30,31,32)