methyl 5-[bis(azanyl)methylideneamino]-2-[(3-nitrophenyl)sulfonylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(3-nitrophenyl)sulfonylamino]pentanoate Openeye Name: methyl 5-guanidino-2-[(3-nitrophenyl)sulfonylamino]pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(3-nitrophenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(3-nitrophenyl)sulfonylamino]pentanoate Traditional Name: 5-guanidino-2-[(3-nitrophenyl)sulfonylamino]valeric acid methyl ester Formula: C13H19N5O6S MolecularWeight: 373.38486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O6S/c1-24-12(19)11(6-3-7-16-13(14)15)17-25(22,23)10-5-2-4-9(8-10)18(20)21/h2,4-5,8,11,17H,3,6-7H2,1H3,(H4,14,15,16)