N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-thiomorpholin-4-yl-benzamide

Systemtic Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-thiomorpholin-4-yl-benzamide Openeye Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-thiomorpholino-benzamide CAS Name: N-[(E)-amino(methylsulfonylimino)methyl]-4-thiomorpholin-4-ylbenzamide IUPAC Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-thiomorpholin-4-ylbenzamide Traditional Name: N-[(E)-N'-mesylamidino]-4-thiomorpholino-benzamide Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)NC(=O)C1=CC=C(C=C1)N2CCSCC2

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=O)C1=CC=C(C=C1)N2CCSCC2

InChI

InChI=1S/C13H18N4O3S2/c1-22(19,20)16-13(14)15-12(18)10-2-4-11(5-3-10)17-6-8-21-9-7-17/h2-5H,6-9H2,1H3,(H3,14,15,16,18)