(2R)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1-mesyl-pyrrolidine-2-carboxamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C

InChI

InChI=1S/C20H24N2O3S2/c1-14-6-7-15(2)19(13-14)26-17-10-8-16(9-11-17)21-20(23)18-5-4-12-22(18)27(3,24)25/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)/t18-/m1/s1