[(2S)-2-[bis(phenylmethyl)amino]oxy-4-methylsulfonyl-butyl] 3-chloranylbenzoate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]oxy-4-methylsulfonyl-butyl] 3-chloranylbenzoate Openeye Name: [(2S)-2-(dibenzylamino)oxy-4-methylsulfonyl-butyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2S)-2-[bis(phenylmethyl)amino]oxy-4-methylsulfonylbutyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)oxy-4-methylsulfonylbutyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(2S)-2-(dibenzylamino)oxy-4-mesyl-butyl] ester Formula: C26H28ClNO5S MolecularWeight: 502.02222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(COC(=O)C1=CC(=CC=C1)Cl)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC[C@@H](COC(=O)C1=CC(=CC=C1)Cl)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H28ClNO5S/c1-34(30,31)16-15-25(20-32-26(29)23-13-8-14-24(27)17-23)33-28(18-21-9-4-2-5-10-21)19-22-11-6-3-7-12-22/h2-14,17,25H,15-16,18-20H2,1H3/t25-/m0/s1