N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-4-nitrobenzamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-4-nitro-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-28-18-10-9-16(29(26,27)21-11-3-2-4-12-21)13-17(18)20-19(23)14-5-7-15(8-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)