N,N-diethyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-keto-2-morpholino-ethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O6S/c1-3-24(4-2)32(29,30)17-5-6-18(19(15-17)25(27)28)22-9-7-21(8-10-22)16-20(26)23-11-13-31-14-12-23/h5-6,15H,3-4,7-14,16H2,1-2H3