2-[[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenoxy]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenoxy]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenoxy]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenoxy]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenoxy]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(diaminomethylenecarbamoyl)-2-mesyl-phenoxy]amino]-3-phenyl-propionic acid Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)ONC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)ONC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N4O6S/c1-29(26,27)15-10-12(16(23)21-18(19)20)7-8-14(15)28-22-13(17(24)25)9-11-5-3-2-4-6-11/h2-8,10,13,22H,9H2,1H3,(H,24,25)(H4,19,20,21,23)