N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-3-24(4-2)21-13-12-17(32(30,31)25-14-8-5-9-15-25)16-19(21)23-22(27)18-10-6-7-11-20(18)26(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,27)