1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H31N3O5S2/c1-4-5-16-29-19-10-12-20(13-11-19)30(25,26)24-18(3)21(17(2)22-24)31(27,28)23-14-8-6-7-9-15-23/h10-13H,4-9,14-16H2,1-3H3