octyl (2S,3S)-3-oxidanyl-2-[(9-oxidanylidenefluoren-2-yl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: octyl (2S,3S)-3-oxidanyl-2-[(9-oxidanylidenefluoren-2-yl)sulfonylamino]-3-phenyl-propanoate Openeye Name: octyl (2S,3S)-3-hydroxy-2-[(9-oxofluoren-2-yl)sulfonylamino]-3-phenyl-propanoate CAS Name: (2S,3S)-3-hydroxy-2-[(9-oxo-2-fluorenyl)sulfonylamino]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl (2S,3S)-3-hydroxy-2-[(9-oxofluoren-2-yl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(9-ketofluoren-2-yl)sulfonylamino]-3-phenyl-propionic acid octyl ester Formula: C30H33NO6S MolecularWeight: 535.65112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NS(=O)(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCCOC(=O)[C@H]([C@H](C1=CC=CC=C1)O)NS(=O)(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O

InChI

InChI=1S/C30H33NO6S/c1-2-3-4-5-6-12-19-37-30(34)27(28(32)21-13-8-7-9-14-21)31-38(35,36)22-17-18-24-23-15-10-11-16-25(23)29(33)26(24)20-22/h7-11,13-18,20,27-28,31-32H,2-6,12,19H2,1H3/t27-,28-/m0/s1