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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(2-methylthiazol-4-yl)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methyl-4-thiazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(2-methylthiazol-4-yl)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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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)C4=CSC(=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)C

InChI

InChI=1S/C22H23N3O3S2/c1-15-5-11-19(12-6-15)30(27,28)25-13-3-4-21(25)22(26)24-18-9-7-17(8-10-18)20-14-29-16(2)23-20/h5-12,14,21H,3-4,13H2,1-2H3,(H,24,26)/t21-/m0/s1