N-[4-(cyanomethyl)phenyl]-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c23-15-14-17-10-12-18(13-11-17)24-22(27)16-25(19-6-2-1-3-7-19)32(30,31)21-9-5-4-8-20(21)26(28)29/h1-13H,14,16H2,(H,24,27)