N2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)phenanthrene-1,2-disulfonamide

Systemtic Name: N2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)phenanthrene-1,2-disulfonamide Openeye Name: N2-(4-bromo-3-methyl-isoxazol-5-yl)phenanthrene-1,2-disulfonamide CAS Name: N2-(4-bromo-3-methyl-5-isoxazolyl)phenanthrene-1,2-disulfonamide IUPAC Name: 2-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)phenanthrene-1,2-disulfonamide Traditional Name: N'-(4-bromo-3-methyl-isoxazol-5-yl)phenanthrene-1,2-disulfonamide Formula: C18H14BrN3O5S2 MolecularWeight: 496.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C3=C(C=C2)C4=CC=CC=C4C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C3=C(C=C2)C4=CC=CC=C4C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H14BrN3O5S2/c1-10-16(19)18(27-21-10)22-29(25,26)15-9-8-13-12-5-3-2-4-11(12)6-7-14(13)17(15)28(20,23)24/h2-9,22H,1H3,(H2,20,23,24)