[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dimethylphenyl)methanone Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C20H27N3O3S/c1-14-11-15(2)13-18(12-14)20(24)23-17(4)19(16(3)21-23)27(25,26)22-9-7-5-6-8-10-22/h11-13H,5-10H2,1-4H3