N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N4O6S/c1-3-31-19-10-7-15(13-20(19)32(29,30)24-11-5-4-6-12-24)23-21(26)17-14-16(25(27)28)8-9-18(17)22-2/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,23,26)