octyl (2R,3S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: octyl (2R,3S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-3-phenyl-propanoate Openeye Name: octyl (2R,3S)-3-hydroxy-2-(2-naphthylsulfonylamino)-3-phenyl-propanoate CAS Name: (2R,3S)-3-hydroxy-2-(2-naphthalenylsulfonylamino)-3-phenylpropanoic acid octyl ester IUPAC Name: octyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (2R,3S)-3-hydroxy-2-(2-naphthylsulfonylamino)-3-phenyl-propionic acid octyl ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H33NO5S/c1-2-3-4-5-6-12-19-33-27(30)25(26(29)22-14-8-7-9-15-22)28-34(31,32)24-18-17-21-13-10-11-16-23(21)20-24/h7-11,13-18,20,25-26,28-29H,2-6,12,19H2,1H3/t25-,26+/m1/s1