4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamide CAS Name: 4-chloro-3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-4-chloro-3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-benzamide Formula: C22H25ClN2O4S2 MolecularWeight: 481.0279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC=C)Cl

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3SCC=C)Cl

InChI

InChI=1S/C22H25ClN2O4S2/c1-4-11-30-20-8-6-5-7-19(20)24-22(26)17-9-10-18(23)21(12-17)31(27,28)25-13-15(2)29-16(3)14-25/h4-10,12,15-16H,1,11,13-14H2,2-3H3,(H,24,26)/t15-,16-/m0/s1