N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H28N4O6S/c28-23(21-17-19(27(29)30)8-9-22(21)25-12-14-33-15-13-25)24-18-6-5-7-20(16-18)34(31,32)26-10-3-1-2-4-11-26/h5-9,16-17H,1-4,10-15H2,(H,24,28)