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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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