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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-(3,5-dimethyl-1-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-14-13-15(2)21(19-14)18(22)16-7-9-17(10-8-16)25(23,24)20-11-5-3-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3