sodium N-[(2S)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenyl-propan-2-yl]-N-(phenylmethyl)sulfamate

Systemtic Name: sodium N-[(2S)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenyl-propan-2-yl]-N-(phenylmethyl)sulfamate Openeye Name: sodium N-benzyl-N-[(1S)-1-benzyl-2-(2-methoxy-2-oxo-ethyl)sulfanyl-ethyl]sulfamate CAS Name: sodium N-[(2S)-1-[(2-methoxy-2-oxoethyl)thio]-3-phenylpropan-2-yl]-N-(phenylmethyl)sulfamate IUPAC Name: sodium N-benzyl-N-[(2S)-1-(2-methoxy-2-oxoethyl)sulfanyl-3-phenylpropan-2-yl]sulfamate Traditional Name: sodium N-benzyl-N-[(1S)-1-benzyl-2-[(2-keto-2-methoxy-ethyl)thio]ethyl]sulfamate Formula: C19H22NNaO5S2 MolecularWeight: 431.50145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(CC1=CC=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S2.Na/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);/q;+1/p-1/t18-;/m0./s1