methyl 3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfonyl-propanoate hydrochloride

Systemtic Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfonyl-propanoate hydrochloride Openeye Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfonyl-propanoate hydrochloride CAS Name: 3-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-methylsulfonylpropanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfonylpropanoate hydrochloride Traditional Name: 3-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-mesyl-propionic acid methyl ester hydrochloride Formula: C15H21ClN4O5S MolecularWeight: 404.86904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(N1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C.Cl

Isomeric SMILES

COC(=O)CC(N1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C.Cl

InChI

InChI=1S/C15H20N4O5S.ClH/c1-24-13(20)9-12(25(2,22)23)19-8-7-18(15(19)21)11-5-3-10(4-6-11)14(16)17;/h3-6,12H,7-9H2,1-2H3,(H3,16,17);1H