3-[(4-aminophenyl)methyl]-6-ethyl-5-(4-methylsulfonylphenyl)-6H-1,3,4-oxadiazin-2-one

Systemtic Name: 3-[(4-aminophenyl)methyl]-6-ethyl-5-(4-methylsulfonylphenyl)-6H-1,3,4-oxadiazin-2-one Openeye Name: 3-[(4-aminophenyl)methyl]-6-ethyl-5-(4-methylsulfonylphenyl)-6H-1,3,4-oxadiazin-2-one CAS Name: 3-[(4-aminophenyl)methyl]-6-ethyl-5-(4-methylsulfonylphenyl)-6H-1,3,4-oxadiazin-2-one IUPAC Name: 3-[(4-aminophenyl)methyl]-6-ethyl-5-(4-methylsulfonylphenyl)-6H-1,3,4-oxadiazin-2-one Traditional Name: 3-(4-aminobenzyl)-6-ethyl-5-(4-mesylphenyl)-6H-1,3,4-oxadiazin-2-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)O1)CC2=CC=C(C=C2)N)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1C(=NN(C(=O)O1)CC2=CC=C(C=C2)N)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O4S/c1-3-17-18(14-6-10-16(11-7-14)27(2,24)25)21-22(19(23)26-17)12-13-4-8-15(20)9-5-13/h4-11,17H,3,12,20H2,1-2H3