methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]sulfonylethanoate hydrochloride

Systemtic Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]sulfonylethanoate hydrochloride Openeye Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]sulfonylacetate hydrochloride CAS Name: 2-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]sulfonylacetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]sulfonylacetate hydrochloride Traditional Name: 2-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]sulfonylacetic acid methyl ester hydrochloride Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C19H20N4O5S.ClH/c1-28-17(24)12-29(26,27)16-8-6-15(7-9-16)23-11-10-22(19(23)25)14-4-2-13(3-5-14)18(20)21;/h2-9H,10-12H2,1H3,(H3,20,21);1H