2-(diethylamino)-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 2-(diethylamino)-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 2-(diethylamino)-5-nitro-N-[3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 2-(diethylamino)-5-nitro-N-[3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(diethylamino)-5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-(diethylamino)-5-nitro-N-(3-piperidinosulfonylphenyl)benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O5S/c1-3-24(4-2)21-12-11-18(26(28)29)16-20(21)22(27)23-17-9-8-10-19(15-17)32(30,31)25-13-6-5-7-14-25/h8-12,15-16H,3-7,13-14H2,1-2H3,(H,23,27)