2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C20H22N2O4S2/c1-12-6-7-15(10-13(12)2)19(23)14(3)27-20-21-17-11-16(8-9-18(17)26-20)28(24,25)22(4)5/h6-11,14H,1-5H3/t14-/m0/s1