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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C22H32N4O5S2 MolecularWeight: 496.64328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H32N4O5S2/c1-5-24(6-2)32(28,29)20-13-11-12-19(16-20)22(27)26-18(4)21(17(3)23-26)33(30,31)25-14-9-7-8-10-15-25/h11-13,16H,5-10,14-15H2,1-4H3