dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [4-[2-(benzyloxycarbonylamino)propanoyloxy]phenyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[4-[1-oxo-2-(phenylmethoxycarbonylamino)propoxy]phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [4-[2-(benzyloxycarbonylamino)propanoyloxy]phenyl]-dimethyl-sulfonium tosylate Formula: C26H29NO7S2 MolecularWeight: 531.64096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C(=O)OC1=CC=C(C=C1)[S+](C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C(=O)OC1=CC=C(C=C1)[S+](C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S.C7H8O3S/c1-14(20-19(22)23-13-15-7-5-4-6-8-15)18(21)24-16-9-11-17(12-10-16)25(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14H,13H2,1-3H3;2-5H,1H3,(H,8,9,10)