methyl 5-[bis(azanyl)methylideneamino]-2-[(4-fluorophenyl)sulfonylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(4-fluorophenyl)sulfonylamino]pentanoate Openeye Name: methyl 2-[(4-fluorophenyl)sulfonylamino]-5-guanidino-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(4-fluorophenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(4-fluorophenyl)sulfonylamino]pentanoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]-5-guanidino-valeric acid methyl ester Formula: C13H19FN4O4S MolecularWeight: 346.377763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C13H19FN4O4S/c1-22-12(19)11(3-2-8-17-13(15)16)18-23(20,21)10-6-4-9(14)5-7-10/h4-7,11,18H,2-3,8H2,1H3,(H4,15,16,17)