4-morpholin-4-yl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-morpholino-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-morpholino-3-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c26-21(16-6-7-19(20(14-16)25(27)28)23-10-12-31-13-11-23)22-17-4-3-5-18(15-17)32(29,30)24-8-1-2-9-24/h3-7,14-15H,1-2,8-13H2,(H,22,26)