[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-(3,5-dimethyl-1-pyrazolyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(3,5-dimethylpyrazol-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-14-8-9-17(19(23)22-16(3)12-15(2)20-22)13-18(14)26(24,25)21-10-6-4-5-7-11-21/h8-9,12-13H,4-7,10-11H2,1-3H3