sodium (E)-[7-dodecylsulfinamoyloxy-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-3-ylidene]methanolate

Systemtic Name: sodium (E)-[7-dodecylsulfinamoyloxy-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-3-ylidene]methanolate Openeye Name: sodium (E)-(7-dodecylsulfinamoyloxy-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-ylidene)methanolate CAS Name: sodium (E)-(7-dodecylsulfinamoyloxy-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-ylidene)methanolate IUPAC Name: sodium (E)-(7-dodecylsulfinamoyloxy-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-ylidene)methanolate Traditional Name: sodium (E)-(2,4-diketo-7-laurylsulfinamoyloxy-1,5-dihydro-1,5-benzodiazepin-3-ylidene)methanolate Formula: C22H32N3NaO5S MolecularWeight: 473.56135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)OC1=CC2=C(C=C1)NC(=O)C(=C[O-])C(=O)N2.[Na+]

Isomeric SMILES

CCCCCCCCCCCCNS(=O)OC1=CC2=C(C=C1)NC(=O)/C(=C\[O-])/C(=O)N2.[Na+]

InChI

InChI=1S/C22H33N3O5S.Na/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);/q;+1/p-1/b18-16+;