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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(2-methylthiazol-4-yl)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-methyl-4-thiazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(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=CC(=C3)C4=CSC(=N4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-15-8-10-19(11-9-15)30(27,28)25-12-4-7-21(25)22(26)24-18-6-3-5-17(13-18)20-14-29-16(2)23-20/h3,5-6,8-11,13-14,21H,4,7,12H2,1-2H3,(H,24,26)/t21-/m0/s1