4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-6-11-23-15(4)12-18(16(23)5)20(25)14-30-21-10-9-17(13-19(21)24(26)27)31(28,29)22(7-2)8-3/h6,9-10,12-13H,1,7-8,11,14H2,2-5H3