N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C19H23N3O8S2 MolecularWeight: 485.53122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O8S2/c1-30-19-9-7-15(32(28,29)21-10-4-2-3-5-11-21)12-16(19)20-31(26,27)14-6-8-18(23)17(13-14)22(24)25/h6-9,12-13,20,23H,2-5,10-11H2,1H3