dimethyl-[4-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxyphenyl]sulfanium; methyl sulfate

Systemtic Name: dimethyl-[4-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxyphenyl]sulfanium; methyl sulfate Openeye Name: [4-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxyphenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: dimethyl-[4-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propoxy]phenyl]sulfonium; methyl sulfate IUPAC Name: dimethyl-[4-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxyphenyl]sulfanium; methyl sulfate Traditional Name: [4-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxyphenyl]-dimethyl-sulfonium; methyl sulfate Formula: C26H29NO8S2 MolecularWeight: 547.64036

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S.CH4O4S/c1-31(2)22-15-13-21(14-16-22)30-24(27)23(17-19-9-5-3-6-10-19)26-25(28)29-18-20-11-7-4-8-12-20;1-5-6(2,3)4/h3-16,23H,17-18H2,1-2H3;1H3,(H,2,3,4)