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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-methoxyphenyl)methanone Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-14-18(27(24,25)21-11-6-4-5-7-12-21)15(2)22(20-14)19(23)16-9-8-10-17(13-16)26-3/h8-10,13H,4-7,11-12H2,1-3H3