N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]ethanamide

Systemtic Name: N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]ethanamide Openeye Name: N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]acetamide CAS Name: N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]acetamide IUPAC Name: N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]acetamide Traditional Name: N-[2-(cyanomethyl)-1,3-benzoxazol-6-yl]-2-[4-(octylsulfonylamino)phenoxy]acetamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(O3)CC#N

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(O3)CC#N

InChI

InChI=1S/C25H30N4O5S/c1-2-3-4-5-6-7-16-35(31,32)29-19-8-11-21(12-9-19)33-18-24(30)27-20-10-13-22-23(17-20)34-25(28-22)14-15-26/h8-13,17,29H,2-7,14,16,18H2,1H3,(H,27,30)