4,5-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-nitro-benzamide Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O8S/c1-30-17-8-7-14(11-20(17)33(28,29)23-9-5-4-6-10-23)22-21(25)15-12-18(31-2)19(32-3)13-16(15)24(26)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,22,25)