3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O5S2/c1-15-19(31(28,29)23-12-7-5-6-8-13-23)16(2)24(21-15)20(25)17-10-9-11-18(14-17)30(26,27)22(3)4/h9-11,14H,5-8,12-13H2,1-4H3