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

Systemtic Name: 4-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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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)C3=CC=C(C=C3)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)C3=CC=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6S/c1-6-26(7-2)35(32,33)21-12-13-25(23(15-21)28(30)31)34-16-24(29)22-14-18(4)27(19(22)5)20-10-8-17(3)9-11-20/h8-15H,6-7,16H2,1-5H3