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

Systemtic Name: 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-4-nitro-benzamide Openeye Name: 3-methyl-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-4-nitro-benzamide CAS Name: 3-methyl-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide Traditional Name: 3-methyl-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-4-nitro-benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-16-14-17(4-6-20(16)26(28)29)22(27)23-19-15-18(5-7-21(19)24-8-2-3-9-24)33(30,31)25-10-12-32-13-11-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,27)