methyl 2-[4-[2-azanyl-2-(4-carbamimidoylphenyl)sulfonyl-ethanoyl]phenoxy]ethanoate hydrochloride

Systemtic Name: methyl 2-[4-[2-azanyl-2-(4-carbamimidoylphenyl)sulfonyl-ethanoyl]phenoxy]ethanoate hydrochloride Openeye Name: methyl 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonyl-acetyl]phenoxy]acetate hydrochloride CAS Name: 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonyl-1-oxoethyl]phenoxy]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonylacetyl]phenoxy]acetate hydrochloride Traditional Name: 2-[4-[2-(4-amidinophenyl)sulfonyl-2-amino-acetyl]phenoxy]acetic acid methyl ester hydrochloride Formula: C18H20ClN3O6S MolecularWeight: 441.8859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)C(N)S(=O)(=O)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)C(N)S(=O)(=O)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H19N3O6S.ClH/c1-26-15(22)10-27-13-6-2-11(3-7-13)16(23)18(21)28(24,25)14-8-4-12(5-9-14)17(19)20;/h2-9,18H,10,21H2,1H3,(H3,19,20);1H