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

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)-3-oxo-propyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-3-oxopropyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)-3-keto-propyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-25-15-7-6-13(12-14(15)19(21)22)26(23,24)17-9-8-16(20)18-10-4-2-3-5-11-18/h6-7,12,17H,2-5,8-11H2,1H3