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

Systemtic Name: 1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S2/c23-26(24,21-12-6-1-2-7-13-21)18-15-22(16-9-4-3-5-10-16)20-19(18)17-11-8-14-25-17/h3-5,8-11,14-15H,1-2,6-7,12-13H2