(2S)-N1-[5-(3-imidazol-1-yl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Systemtic Name: (2S)-N1-[5-(3-imidazol-1-yl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Openeye Name: (2S)-N1-[5-(3-imidazol-1-yl-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide CAS Name: (2S)-N1-[5-[3-(1-imidazolyl)-4-methylsulfonylphenyl]-4-methyl-2-thiazolyl]pyrrolidine-1,2-dicarboxamide IUPAC Name: (2S)-1-N-[5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Traditional Name: (2S)-N-[5-(3-imidazol-1-yl-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=C(C=C3)S(=O)(=O)C)N4C=CN=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=C(C=C3)S(=O)(=O)C)N4C=CN=C4

InChI

InChI=1S/C20H22N6O4S2/c1-12-17(31-19(23-12)24-20(28)26-8-3-4-14(26)18(21)27)13-5-6-16(32(2,29)30)15(10-13)25-9-7-22-11-25/h5-7,9-11,14H,3-4,8H2,1-2H3,(H2,21,27)(H,23,24,28)/t14-/m0/s1