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

Systemtic Name: 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylazepane Openeye Name: 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylazepane Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-28(27,25-15-9-1-2-10-16-25)21-18-24(17-19-11-5-3-6-12-19)23-22(21)20-13-7-4-8-14-20/h3-8,11-14,18H,1-2,9-10,15-17H2