N,N-diethyl-4-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(7-methoxy-2-oxochromen-4-yl)methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-keto-7-methoxy-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide Formula: C21H22N2O8S MolecularWeight: 462.47298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8S/c1-4-22(5-2)32(27,28)16-7-9-19(18(12-16)23(25)26)30-13-14-10-21(24)31-20-11-15(29-3)6-8-17(14)20/h6-12H,4-5,13H2,1-3H3