4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(6-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(6-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c17-27(24,25)13-2-3-14(15(9-13)21(22)23)18-10-12-1-4-16(19-11-12)20-5-7-26-8-6-20/h1-4,9,11,18H,5-8,10H2,(H2,17,24,25)