methyl 5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]sulfonylamino]pentanoate hydrochloride

Systemtic Name: methyl 5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]sulfonylamino]pentanoate hydrochloride Openeye Name: methyl 5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]sulfonylamino]pentanoate hydrochloride CAS Name: 5-[[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]sulfonylamino]pentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]sulfonylamino]pentanoate hydrochloride Traditional Name: 5-[[4-(5-amidinopyrimidin-2-yl)phenyl]sulfonylamino]valeric acid methyl ester hydrochloride Formula: C17H22ClN5O4S MolecularWeight: 427.90568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C(=N)N.Cl

InChI

InChI=1S/C17H21N5O4S.ClH/c1-26-15(23)4-2-3-9-22-27(24,25)14-7-5-12(6-8-14)17-20-10-13(11-21-17)16(18)19;/h5-8,10-11,22H,2-4,9H2,1H3,(H3,18,19);1H