(2S)-1-(4-methylphenyl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(p-tolylsulfonyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-tosyl-N-(2,3,4-trimethoxybenzyl)pyrrolidine-2-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H28N2O6S/c1-15-7-10-17(11-8-15)31(26,27)24-13-5-6-18(24)22(25)23-14-16-9-12-19(28-2)21(30-4)20(16)29-3/h7-12,18H,5-6,13-14H2,1-4H3,(H,23,25)/t18-/m0/s1