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

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-4-methyl-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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