N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-nitrophenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-nitrophenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-nitrophenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-nitrophenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-nitrophenyl)benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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