(phenylmethyl) (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O7S/c1-27-18-12-16(13-19(28-2)20(18)29-3)22-31(25,26)23-11-7-10-17(23)21(24)30-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,7,10-11,14H2,1-3H3/t17-/m0/s1