N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine

Systemtic Name: N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine Openeye Name: N-(4-morpholinosulfonyl-2-nitro-phenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine CAS Name: N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine IUPAC Name: N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c28-27(29)21-15-17(33(30,31)25-10-12-32-13-11-25)6-7-18(21)23-16-5-8-20-19(14-16)24-22-4-2-1-3-9-26(20)22/h5-8,14-15,23H,1-4,9-13H2