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

Systemtic Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-3-nitro-benzenesulfonamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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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)C(C)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)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6S/c1-7-22(8-2)31(28,29)17-9-10-21(19(12-17)24(26)27)30-13-20(25)18-11-15(5)23(14(3)4)16(18)6/h9-12,14H,7-8,13H2,1-6H3