(2S)-N-(3,4-diethoxyphenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3,4-diethoxyphenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3,4-diethoxyphenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3,4-diethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3,4-diethoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3,4-diethoxyphenyl)-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)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C22H28N2O5S/c1-4-28-20-13-10-17(15-21(20)29-5-2)23-22(25)19-7-6-14-24(19)30(26,27)18-11-8-16(3)9-12-18/h8-13,15,19H,4-7,14H2,1-3H3,(H,23,25)/t19-/m0/s1