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

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propanoic acid hydrochloride Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propanoic acid hydrochloride CAS Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylsulfamoyl]propanoic acid hydrochloride IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylsulfamoyl]propanoic acid hydrochloride Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propionic acid hydrochloride Formula: C25H30ClN5O5S MolecularWeight: 548.0542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3CCCC3)S(=O)(=O)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3CCCC3)S(=O)(=O)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C25H29N5O5S.ClH/c1-29-22-11-10-19(30(18-4-2-3-5-18)36(34,35)13-12-23(31)32)15-20(22)28-21(25(29)33)14-16-6-8-17(9-7-16)24(26)27;/h6-11,15,18H,2-5,12-14H2,1H3,(H3,26,27)(H,31,32);1H