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

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(2-methylphenyl)sulfonylamino]pentanoate Openeye Name: methyl 5-guanidino-2-(o-tolylsulfonylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(2-methylphenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(2-methylphenyl)sulfonylamino]pentanoate Traditional Name: 5-guanidino-2-(o-tolylsulfonylamino)valeric acid methyl ester Formula: C14H22N4O4S MolecularWeight: 342.41388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C14H22N4O4S/c1-10-6-3-4-8-12(10)23(20,21)18-11(13(19)22-2)7-5-9-17-14(15)16/h3-4,6,8,11,18H,5,7,9H2,1-2H3,(H4,15,16,17)