1-[3,5-dimethyl-1-(4-propan-2-yloxyphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3,5-dimethyl-1-(4-propan-2-yloxyphenyl)sulfonyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(4-isopropoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[3,5-dimethyl-1-(4-propan-2-yloxyphenyl)sulfonyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[3,5-dimethyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(4-isopropoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)OC(C)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)OC(C)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O5S2/c1-15(2)28-18-9-11-19(12-10-18)29(24,25)23-17(4)20(16(3)21-23)30(26,27)22-13-7-5-6-8-14-22/h9-12,15H,5-8,13-14H2,1-4H3