N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide Openeye Name: N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[[2-(cyanomethyl)-1,3-benzoxazol-5-yl]methylsulfonyl]phenyl]methanesulfonamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)CC2=CC3=C(C=C2)OC(=N3)CC#N

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)CC2=CC3=C(C=C2)OC(=N3)CC#N

InChI

InChI=1S/C17H15N3O5S2/c1-26(21,22)20-13-3-5-14(6-4-13)27(23,24)11-12-2-7-16-15(10-12)19-17(25-16)8-9-18/h2-7,10,20H,8,11H2,1H3