bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-methyl-[3-[3-methyl-5-(2-methylsulfonylphenyl)sulfonyloxy-phenoxy]propoxy]azanium

Systemtic Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-methyl-[3-[3-methyl-5-(2-methylsulfonylphenyl)sulfonyloxy-phenoxy]propoxy]azanium Openeye Name: bis(tert-butoxycarbonylamino)methylene-methyl-[3-[3-methyl-5-(2-methylsulfonylphenyl)sulfonyloxy-phenoxy]propoxy]ammonium CAS Name: bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene-methyl-[3-[3-methyl-5-(2-methylsulfonylphenyl)sulfonyloxyphenoxy]propoxy]ammonium IUPAC Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-methyl-[3-[3-methyl-5-(2-methylsulfonylphenyl)sulfonyloxyphenoxy]propoxy]azanium Traditional Name: bis(tert-butoxycarbonylamino)methylene-[3-[3-(2-mesylphenyl)sulfonyloxy-5-methyl-phenoxy]propoxy]-methyl-ammonium Formula: C29H42N3O11S2+ MolecularWeight: 672.78728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCO[N+](=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCO[N+](=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H41N3O11S2/c1-20-17-21(19-22(18-20)43-45(37,38)24-14-11-10-13-23(24)44(9,35)36)39-15-12-16-40-32(8)25(30-26(33)41-28(2,3)4)31-27(34)42-29(5,6)7/h10-11,13-14,17-19H,12,15-16H2,1-9H3,(H,30,31,33,34)/p+1