3-[(3-chlorophenyl)methylsulfonyl]-1-propyl-pyrazin-2-one

Systemtic Name: 3-[(3-chlorophenyl)methylsulfonyl]-1-propyl-pyrazin-2-one Openeye Name: 3-[(3-chlorophenyl)methylsulfonyl]-1-propyl-pyrazin-2-one CAS Name: 3-[(3-chlorophenyl)methylsulfonyl]-1-propyl-2-pyrazinone IUPAC Name: 3-[(3-chlorophenyl)methylsulfonyl]-1-propylpyrazin-2-one Traditional Name: 3-(3-chlorobenzyl)sulfonyl-1-propyl-pyrazin-2-one Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H15ClN2O3S/c1-2-7-17-8-6-16-13(14(17)18)21(19,20)10-11-4-3-5-12(15)9-11/h3-6,8-9H,2,7,10H2,1H3