4-azido-2-oxidanyl-N-[4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butyl]benzamide

Systemtic Name: 4-azido-2-oxidanyl-N-[4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butyl]benzamide Openeye Name: 4-azido-2-hydroxy-N-[4-[3-(2-pyridyldisulfanyl)propanoylamino]butyl]benzamide CAS Name: 4-azido-2-hydroxy-N-[4-[[1-oxo-3-(2-pyridinyldisulfanyl)propyl]amino]butyl]benzamide IUPAC Name: 4-azido-2-hydroxy-N-[4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butyl]benzamide Traditional Name: 4-azido-2-hydroxy-N-[4-[3-(2-pyridyldisulfanyl)propanoylamino]butyl]benzamide Formula: C19H22N6O3S2 MolecularWeight: 446.54638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SSCCC(=O)NCCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O

Isomeric SMILES

C1=CC=NC(=C1)SSCCC(=O)NCCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O

InChI

InChI=1S/C19H22N6O3S2/c20-25-24-14-6-7-15(16(26)13-14)19(28)23-11-4-3-9-21-17(27)8-12-29-30-18-5-1-2-10-22-18/h1-2,5-7,10,13,26H,3-4,8-9,11-12H2,(H,21,27)(H,23,28)