3-(methylsulfonylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 3-(methylsulfonylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 3-(methylsulfonylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 3-(methylsulfonylmethyl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 3-(methylsulfonylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 3-(mesylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-27(25,26)15-16-6-5-7-18(12-16)20(24)21-11-10-17-13-22-23(14-17)19-8-3-2-4-9-19/h2-9,12-14H,10-11,15H2,1H3,(H,21,24)