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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-nitro-benzenesulfonamide Formula: C19H23N3O7S2 MolecularWeight: 469.53182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S2/c1-29-18-11-10-15(31(27,28)21-12-6-2-3-7-13-21)14-16(18)20-30(25,26)19-9-5-4-8-17(19)22(23)24/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3