N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethyl-4-pyrazolesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3,5-dimethylphenyl)-1,3,5-trimethyl-pyrazole-4-sulfonamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(N(N=C3C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=C(N(N=C3C)C)C)C

InChI

InChI=1S/C22H32N4O3S/c1-16-12-17(2)14-20(13-16)26(15-21(27)25-10-8-6-7-9-11-25)30(28,29)22-18(3)23-24(5)19(22)4/h12-14H,6-11,15H2,1-5H3