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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

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