N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide CAS Name: N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methylbenzenesulfinamide Traditional Name: N-[(S)-(3,4-dimethylphenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide Formula: C26H29NOS3 MolecularWeight: 467.70956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C2=CC(=C(C=C2)C)C)C3(SCCCS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@@H](C2=CC(=C(C=C2)C)C)C3(SCCCS3)C4=CC=CC=C4

InChI

InChI=1S/C26H29NOS3/c1-19-10-14-24(15-11-19)31(28)27-25(22-13-12-20(2)21(3)18-22)26(29-16-7-17-30-26)23-8-5-4-6-9-23/h4-6,8-15,18,25,27H,7,16-17H2,1-3H3/t25-,31-/m0/s1