N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-nitro-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c28-23(19-7-3-4-8-21(19)27(29)30)24-20-17-18(34(31,32)26-13-15-33-16-14-26)9-10-22(20)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,28)