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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-methylsulfanylphenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(methylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(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(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-14-8-10-17(11-9-14)26(23,24)21-12-4-7-18(21)19(22)20-15-5-3-6-16(13-15)25-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1