N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-4-nitro-benzamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-4-nitro-benzamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-4-nitro-benzamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide Traditional Name: N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-4-nitro-benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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