1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S2/c24-27(25,23-12-6-1-2-7-13-23)19-16-22(15-17-9-4-3-5-10-17)21-20(19)18-11-8-14-26-18/h3-5,8-11,14,16H,1-2,6-7,12-13,15H2