N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)-3-keto-propyl]-4-nitro-benzenesulfonamide Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5S/c19-15(17-11-3-1-2-4-12-17)9-10-16-24(22,23)14-7-5-13(6-8-14)18(20)21/h5-8,16H,1-4,9-12H2