N,N-diethyl-3-nitro-4-[3-(2-oxidanylideneazepan-1-yl)propylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[3-(2-oxidanylideneazepan-1-yl)propylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[3-(2-oxo-1-azepanyl)propylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[3-(2-ketoazepan-1-yl)propylamino]-3-nitro-benzenesulfonamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-3-22(4-2)29(27,28)16-10-11-17(18(15-16)23(25)26)20-12-8-14-21-13-7-5-6-9-19(21)24/h10-11,15,20H,3-9,12-14H2,1-2H3