tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-(ethylsulfonylamino)phenoxy]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-(ethylsulfonylamino)phenoxy]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-(ethylsulfonylamino)phenoxy]azetidine-1-carboxylate CAS Name: 3-[3-[2-(7-cyano-2-naphthalenyl)-2-hydroxyethyl]-4-(ethylsulfonylamino)phenoxy]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-hydroxyethyl]-4-(ethylsulfonylamino)phenoxy]azetidine-1-carboxylate Traditional Name: 3-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-(esylamino)phenoxy]azetidine-1-carboxylic acid tert-butyl ester Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=C(C=C1)OC2CN(C2)C(=O)OC(C)(C)C)CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=C(C=C1)OC2CN(C2)C(=O)OC(C)(C)C)CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

InChI

InChI=1S/C29H33N3O6S/c1-5-39(35,36)31-26-11-10-24(37-25-17-32(18-25)28(34)38-29(2,3)4)14-23(26)15-27(33)21-9-8-20-7-6-19(16-30)12-22(20)13-21/h6-14,25,27,31,33H,5,15,17-18H2,1-4H3