N-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

Systemtic Name: N-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide Openeye Name: N-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]-2-(2-thienylsulfonylamino)benzamide CAS Name: N-[(E)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide IUPAC Name: N-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide Traditional Name: N-[(E)-(3-nitro-4-pyrrolidino-benzylidene)amino]-2-(2-thienylsulfonylamino)benzamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S2/c28-22(17-6-1-2-7-18(17)25-34(31,32)21-8-5-13-33-21)24-23-15-16-9-10-19(20(14-16)27(29)30)26-11-3-4-12-26/h1-2,5-10,13-15,25H,3-4,11-12H2,(H,24,28)/b23-15+