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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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