4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-N-phenethyl-benzamide

Systemtic Name: 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-N-phenethyl-benzamide Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-phenethyl-benzamide CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-phenethylbenzamide IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-phenethylbenzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-phenethyl-benzamide Formula: C21H19N3O6S MolecularWeight: 441.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c25-20-11-10-18(14-19(20)24(27)28)31(29,30)23-17-8-6-16(7-9-17)21(26)22-13-12-15-4-2-1-3-5-15/h1-11,14,23,25H,12-13H2,(H,22,26)