(2S)-1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-methylsulfanylphenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(methylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(methylthio)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-14-5-11-17(12-6-14)26(23,24)21-13-3-4-18(21)19(22)20-15-7-9-16(25-2)10-8-15/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)/t18-/m0/s1