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

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-2-nitro-benzamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methyl-2-nitrobenzamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-3-methyl-2-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-30-19-11-10-16(31(28,29)23-12-5-4-6-13-23)14-18(19)22-21(25)17-9-7-8-15(2)20(17)24(26)27/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,25)