N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]-4-pentyl-benzenesulfonamide

Systemtic Name: N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]-4-pentyl-benzenesulfonamide Openeye Name: N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]-4-pentyl-benzenesulfonamide CAS Name: N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]-4-pentylbenzenesulfonamide IUPAC Name: N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]-4-pentylbenzenesulfonamide Traditional Name: 4-amyl-N-[2-(5-nitro-1,3-benzoxazol-2-yl)ethyl]benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-3-4-5-15-6-9-17(10-7-15)29(26,27)21-13-12-20-22-18-14-16(23(24)25)8-11-19(18)28-20/h6-11,14,21H,2-5,12-13H2,1H3