(3E)-7-dodecylsulfinamoyloxy-2,4-bis(oxidanylidene)-3-(oxidanylmethylidene)-1,5-dihydro-1,5-benzodiazepine

Systemtic Name: (3E)-7-dodecylsulfinamoyloxy-2,4-bis(oxidanylidene)-3-(oxidanylmethylidene)-1,5-dihydro-1,5-benzodiazepine Openeye Name: (3E)-7-dodecylsulfinamoyloxy-3-(hydroxymethylene)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine CAS Name: (3E)-7-dodecylsulfinamoyloxy-3-(hydroxymethylidene)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine IUPAC Name: (3E)-7-dodecylsulfinamoyloxy-3-(hydroxymethylidene)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine Traditional Name: (3E)-3-(hydroxymethylene)-2,4-diketo-7-laurylsulfinamoyloxy-1,5-dihydro-1,5-benzodiazepine Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)OC1=CC2=C(C=C1)NC(=O)C(=CO)C(=O)N2

Isomeric SMILES

CCCCCCCCCCCCNS(=O)OC1=CC2=C(C=C1)NC(=O)/C(=C\O)/C(=O)N2

InChI

InChI=1S/C22H33N3O5S/c1-2-3-4-5-6-7-8-9-10-11-14-23-31(29)30-17-12-13-19-20(15-17)25-22(28)18(16-26)21(27)24-19/h12-13,15-16,23,26H,2-11,14H2,1H3,(H,24,27)(H,25,28)/b18-16+