N-[4-[(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2R)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2R)-2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2R)-2-[(4,8-dimethyl-2-quinolyl)thio]propanoyl]phenyl]methanesulfonamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H22N2O3S2/c1-13-6-5-7-18-14(2)12-19(22-20(13)18)27-15(3)21(24)16-8-10-17(11-9-16)23-28(4,25)26/h5-12,15,23H,1-4H3/t15-/m1/s1