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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[3-(benzyloxymethyl)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(benzoxymethyl)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC(=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC(=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-21-12-14-25(15-13-21)34(31,32)29-16-6-11-26(29)27(30)28-18-23-9-5-10-24(17-23)20-33-19-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,26H,6,11,16,18-20H2,1H3,(H,28,30)/t26-/m0/s1