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

Systemtic Name: 1-(3-phenyl-1-propan-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3-phenyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylazepane Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-15(2)21-14-17(18(19-21)16-10-6-5-7-11-16)24(22,23)20-12-8-3-4-9-13-20/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3