N,N-diethyl-4-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(2-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c1-3-24(4-2)31(28,29)17-7-8-18(19(14-17)25(26)27)22-15-16-6-5-9-21-20(16)23-10-12-30-13-11-23/h5-9,14,22H,3-4,10-13,15H2,1-2H3