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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-morpholino-3-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=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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