(5S)-7-(methoxymethyl)-5-methyl-1,4-bis-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-diazepine

Systemtic Name: (5S)-7-(methoxymethyl)-5-methyl-1,4-bis-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-diazepine Openeye Name: (5S)-7-(methoxymethyl)-5-methyl-1,4-bis(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-diazepine CAS Name: (5S)-7-(methoxymethyl)-5-methyl-1,4-bis-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-diazepine IUPAC Name: (5S)-7-(methoxymethyl)-5-methyl-1,4-bis-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-diazepine Traditional Name: (5S)-7-(methoxymethyl)-5-methyl-1,4-ditosyl-3,5-dihydro-2H-1,4-diazepine Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)COC

Isomeric SMILES

C[C@H]1C=C(N(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)COC

InChI

InChI=1S/C22H28N2O5S2/c1-17-5-9-21(10-6-17)30(25,26)23-13-14-24(20(16-29-4)15-19(23)3)31(27,28)22-11-7-18(2)8-12-22/h5-12,15,19H,13-14,16H2,1-4H3/t19-/m0/s1