1-butyl-3-[(4-methoxyphenyl)methylsulfonyl]pyrazin-2-one

Systemtic Name: 1-butyl-3-[(4-methoxyphenyl)methylsulfonyl]pyrazin-2-one Openeye Name: 1-butyl-3-[(4-methoxyphenyl)methylsulfonyl]pyrazin-2-one CAS Name: 1-butyl-3-[(4-methoxyphenyl)methylsulfonyl]-2-pyrazinone IUPAC Name: 1-butyl-3-[(4-methoxyphenyl)methylsulfonyl]pyrazin-2-one Traditional Name: 1-butyl-3-p-anisylsulfonyl-pyrazin-2-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C=CN=C(C1=O)S(=O)(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N2O4S/c1-3-4-10-18-11-9-17-15(16(18)19)23(20,21)12-13-5-7-14(22-2)8-6-13/h5-9,11H,3-4,10,12H2,1-2H3