N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c24-20(21-14-8-1-2-9-15-21)16-22(17-10-4-3-5-11-17)29(27,28)19-13-7-6-12-18(19)23(25)26/h3-7,10-13H,1-2,8-9,14-16H2