N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-morpholinosulfonyl-benzenesulfonamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H24N4O5S2/c1-16-15-17(2)25(22-16)19-5-3-18(4-6-19)23-31(26,27)20-7-9-21(10-8-20)32(28,29)24-11-13-30-14-12-24/h3-10,15,23H,11-14H2,1-2H3