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

Systemtic Name: 4-chloranyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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