(2S)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-ethoxy-3-methoxy-benzyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H28N2O5S/c1-4-29-20-12-9-17(14-21(20)28-3)15-23-22(25)19-6-5-13-24(19)30(26,27)18-10-7-16(2)8-11-18/h7-12,14,19H,4-6,13,15H2,1-3H3,(H,23,25)/t19-/m0/s1