1-[1-(4-methoxy-3-methyl-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[1-(4-methoxy-3-methyl-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(4-methoxy-3-methyl-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(4-methoxy-3-methylphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(4-methoxy-3-methylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(4-methoxy-3-methyl-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C)OC

InChI

InChI=1S/C19H27N3O5S2/c1-14-13-17(9-10-18(14)27-4)28(23,24)22-16(3)19(15(2)20-22)29(25,26)21-11-7-5-6-8-12-21/h9-10,13H,5-8,11-12H2,1-4H3