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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(2-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(2-morpholino-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C20H28N6O5S MolecularWeight: 464.53852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O5S/c1-24(2)9-8-23-32(29,30)17-5-6-18(19(14-17)26(27)28)22-15-16-4-3-7-21-20(16)25-10-12-31-13-11-25/h3-7,14,22-23H,8-13,15H2,1-2H3