4-[4-[[4-(bromomethyl)-2-nitro-phenoxy]methyl]-2-(hexadecylsulfonylamino)phenoxy]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-[4-[[4-(bromomethyl)-2-nitro-phenoxy]methyl]-2-(hexadecylsulfonylamino)phenoxy]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-[4-[[4-(bromomethyl)-2-nitro-phenoxy]methyl]-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[4-[[4-(bromomethyl)-2-nitrophenoxy]methyl]-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-[4-[[4-(bromomethyl)-2-nitrophenoxy]methyl]-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[4-[[4-(bromomethyl)-2-nitro-phenoxy]methyl]-2-(cetylsulfonylamino)phenoxy]-1-hydroxy-2-naphthamide Formula: C41H52BrN3O8S MolecularWeight: 826.83588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)COC2=C(C=C(C=C2)CBr)[N+](=O)[O-])OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)COC2=C(C=C(C=C2)CBr)[N+](=O)[O-])OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

InChI

InChI=1S/C41H52BrN3O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-54(50,51)44-35-25-31(29-52-38-23-20-30(28-42)26-36(38)45(48)49)21-22-37(35)53-39-27-34(41(43)47)40(46)33-19-16-15-18-32(33)39/h15-16,18-23,25-27,44,46H,2-14,17,24,28-29H2,1H3,(H2,43,47)