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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-14-20(31(26,27)23-10-8-6-7-9-11-23)15(2)24(22-14)21(25)16-12-17(28-3)19(30-5)18(13-16)29-4/h12-13H,6-11H2,1-5H3