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

Systemtic Name: N,N-diethyl-4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(7-methyl-2-oxo-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(7-methyl-2-oxochromen-4-yl)methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-keto-7-methyl-chromen-4-yl)methoxy]-3-nitro-benzenesulfonamide Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-4-22(5-2)31(27,28)16-7-9-19(18(12-16)23(25)26)29-13-15-11-21(24)30-20-10-14(3)6-8-17(15)20/h6-12H,4-5,13H2,1-3H3