(2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-phenylsulfanyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(4-methylphenyl)sulfonyl-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(4-methylphenyl)sulfonyl-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(phenylthio)-1-tosyl-proline Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S2/c1-13-7-9-16(10-8-13)25(22,23)19-12-15(11-17(19)18(20)21)24-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3,(H,20,21)/t15-,17-/m0/s1