5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2-methoxy-5-nitro-phenyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2-methoxy-5-nitro-phenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxy-5-nitro-phenyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(2-methoxy-5-nitrophenyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxy-5-nitrophenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxy-5-nitro-phenyl)benzamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

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