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

Systemtic Name: 2-(methylamino)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-5-nitro-benzamide CAS Name: 2-(methylamino)-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-5-nitrobenzamide Traditional Name: 2-(methylamino)-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-5-nitro-benzamide Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C22H27N5O6S/c1-23-19-6-4-16(27(29)30)14-18(19)22(28)24-20-15-17(5-7-21(20)25-8-2-3-9-25)34(31,32)26-10-12-33-13-11-26/h4-7,14-15,23H,2-3,8-13H2,1H3,(H,24,28)