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

Systemtic Name: N-[(S)-(3-bromophenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(S)-(3-bromophenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide CAS Name: N-[(S)-(3-bromophenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(S)-(3-bromophenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methylbenzenesulfinamide Traditional Name: N-[(S)-(3-bromophenyl)-(2-phenyl-1,3-dithian-2-yl)methyl]-4-methyl-benzenesulfinamide Formula: C24H24BrNOS3 MolecularWeight: 518.55246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNOS3/c1-18-11-13-22(14-12-18)30(27)26-23(19-7-5-10-21(25)17-19)24(28-15-6-16-29-24)20-8-3-2-4-9-20/h2-5,7-14,17,23,26H,6,15-16H2,1H3/t23-,30-/m0/s1