2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]-2-cyclopentyl-ethanoic acid

Systemtic Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]-2-cyclopentyl-ethanoic acid Openeye Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]sulfamoyl]-2-cyclopentyl-acetic acid CAS Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]sulfamoyl]-2-cyclopentylacetic acid IUPAC Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]sulfamoyl]-2-cyclopentylacetic acid Traditional Name: 2-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]sulfamoyl]-2-cyclopentyl-acetic acid Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C(C3CCCC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C(C3CCCC3)C(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H27N5O5S/c1-29-20-11-10-17(28-35(33,34)21(24(31)32)15-4-2-3-5-15)13-18(20)27-19(23(29)30)12-14-6-8-16(9-7-14)22(25)26/h6-11,13,15,21,28H,2-5,12H2,1H3,(H3,25,26)(H,31,32)