1-(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[(1-propan-2-yl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(1-propan-2-yl-3-thiophen-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)N1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H23N3O2S2/c1-13(2)19-12-15(16(17-19)14-8-7-11-22-14)23(20,21)18-9-5-3-4-6-10-18/h7-8,11-13H,3-6,9-10H2,1-2H3