[(2S)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenyl-propan-2-yl]-(phenylmethyl)sulfamic acid

Systemtic Name: [(2S)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenyl-propan-2-yl]-(phenylmethyl)sulfamic acid Openeye Name: benzyl-[(1S)-1-benzyl-2-(2-methoxy-2-oxo-ethyl)sulfanyl-ethyl]sulfamic acid CAS Name: [(2S)-1-[(2-methoxy-2-oxoethyl)thio]-3-phenylpropan-2-yl]-(phenylmethyl)sulfamic acid IUPAC Name: benzyl-[(2S)-1-(2-methoxy-2-oxoethyl)sulfanyl-3-phenylpropan-2-yl]sulfamic acid Traditional Name: benzyl-[(1S)-1-benzyl-2-[(2-keto-2-methoxy-ethyl)thio]ethyl]sulfamic acid Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(CC1=CC=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC(=O)CSC[C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H23NO5S2/c1-25-19(21)15-26-14-18(12-16-8-4-2-5-9-16)20(27(22,23)24)13-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,22,23,24)/t18-/m0/s1