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

Systemtic Name: 2-chloranyl-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-5-nitro-benzamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-2-30-19-9-7-15(31(28,29)23-10-4-3-5-11-23)13-18(19)22-20(25)16-12-14(24(26)27)6-8-17(16)21/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,25)