N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-pyrazolyl]-4-nitrophenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazol-3-yl]-4-nitrophenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]-4-methoxy-benzenesulfonamide Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H24N4O5S/c1-23(2,3)13-12-16-15-26(4)24-22(16)20-14-17(27(28)29)6-11-21(20)25-33(30,31)19-9-7-18(32-5)8-10-19/h6-11,14-15,25H,1-5H3