6-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid

Systemtic Name: 6-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid Openeye Name: 6-guanidino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid CAS Name: 6-(diaminomethylideneamino)-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid Traditional Name: 6-guanidino-2-(tosylcarbamoylamino)hexanoic acid Formula: C15H23N5O5S MolecularWeight: 385.43862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN=C(N)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN=C(N)N)C(=O)O

InChI

InChI=1S/C15H23N5O5S/c1-10-5-7-11(8-6-10)26(24,25)20-15(23)19-12(13(21)22)4-2-3-9-18-14(16)17/h5-8,12H,2-4,9H2,1H3,(H,21,22)(H4,16,17,18)(H2,19,20,23)