(phenylmethyl) 2-(2-dimethylaminoethylsulfonylmethyl)-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-(2-dimethylaminoethylsulfonylmethyl)-3-phenyl-propanoate Openeye Name: benzyl 2-benzyl-3-(2-dimethylaminoethylsulfonyl)propanoate CAS Name: 2-(2-dimethylaminoethylsulfonylmethyl)-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-(2-dimethylaminoethylsulfonyl)propanoate Traditional Name: 2-benzyl-3-(2-dimethylaminoethylsulfonyl)propionic acid benzyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C)CCS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-22(2)13-14-27(24,25)17-20(15-18-9-5-3-6-10-18)21(23)26-16-19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3