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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-tert-butylphenyl)methanone Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-16-20(29(27,28)24-14-8-6-7-9-15-24)17(2)25(23-16)21(26)18-10-12-19(13-11-18)22(3,4)5/h10-13H,6-9,14-15H2,1-5H3