2-(2-nitrooxyethyldisulfanyl)ethyl N-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamate

Systemtic Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamate Openeye Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[4-(5-methyl-4-phenyl-isoxazol-3-yl)phenyl]sulfonylcarbamate CAS Name: N-[4-(5-methyl-4-phenyl-3-isoxazolyl)phenyl]sulfonylcarbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester IUPAC Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamate Traditional Name: N-[4-(5-methyl-4-phenyl-isoxazol-3-yl)phenyl]sulfonylcarbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester Formula: C21H21N3O8S3 MolecularWeight: 539.60174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCSSCCO[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCSSCCO[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O8S3/c1-15-19(16-5-3-2-4-6-16)20(22-32-15)17-7-9-18(10-8-17)35(28,29)23-21(25)30-11-13-33-34-14-12-31-24(26)27/h2-10H,11-14H2,1H3,(H,23,25)