N-[(4-carbamimidoylphenyl)methyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-oxidanylidene-morpholin-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-oxidanylidene-morpholin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-3-oxo-morpholin-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-3-oxo-2-morpholinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-oxomorpholin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[4-(coumaran-5-ylsulfonylamino)-3-keto-morpholin-2-yl]acetamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)NN3CCOC(C3=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)NN3CCOC(C3=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H25N5O6S/c23-21(24)15-3-1-14(2-4-15)13-25-20(28)12-19-22(29)27(8-10-33-19)26-34(30,31)17-5-6-18-16(11-17)7-9-32-18/h1-6,11,19,26H,7-10,12-13H2,(H3,23,24)(H,25,28)