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

Systemtic Name: 4-[4-(bromomethyl)-2-(hexadecylsulfonylamino)phenoxy]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-[4-(bromomethyl)-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[4-(bromomethyl)-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-[4-(bromomethyl)-2-(hexadecylsulfonylamino)phenoxy]-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[4-(bromomethyl)-2-(cetylsulfonylamino)phenoxy]-1-hydroxy-2-naphthamide Formula: C34H47BrN2O5S MolecularWeight: 675.71638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)CBr)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)CBr)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)N

InChI

InChI=1S/C34H47BrN2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-43(40,41)37-30-23-26(25-35)20-21-31(30)42-32-24-29(34(36)39)33(38)28-19-16-15-18-27(28)32/h15-16,18-21,23-24,37-38H,2-14,17,22,25H2,1H3,(H2,36,39)