(2S)-1-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(p-tolylsulfonyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-tosyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-14-7-9-16(10-8-14)30(25,26)23-11-5-6-17(23)21(24)22-15-12-18(27-2)20(29-4)19(13-15)28-3/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,22,24)/t17-/m0/s1