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

Systemtic Name: methyl 2-[4-[2-azanyl-2-(4-carbamimidoylphenyl)sulfonyl-ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonyl-acetyl]phenoxy]acetate CAS Name: 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonyl-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-amino-2-(4-carbamimidoylphenyl)sulfonylacetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(4-amidinophenyl)sulfonyl-2-amino-acetyl]phenoxy]acetic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/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)