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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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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)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H24N4O4S2/c1-16-15-17(2)25(22-16)19-7-5-18(6-8-19)23-30(26,27)20-9-11-21(12-10-20)31(28,29)24-13-3-4-14-24/h5-12,15,23H,3-4,13-14H2,1-2H3