1-(3,5-dimethyl-1-thiophen-2-ylsulfonyl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(3,5-dimethyl-1-thiophen-2-ylsulfonyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-[3,5-dimethyl-1-(2-thienylsulfonyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[(3,5-dimethyl-1-thiophen-2-ylsulfonyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[3,5-dimethyl-1-(2-thienylsulfonyl)pyrazol-4-yl]sulfonylazepane Formula: C15H21N3O4S3 MolecularWeight: 403.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CS2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CS2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H21N3O4S3/c1-12-15(25(21,22)17-9-5-3-4-6-10-17)13(2)18(16-12)24(19,20)14-8-7-11-23-14/h7-8,11H,3-6,9-10H2,1-2H3