tert-butyl 5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: tert-butyl 5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: tert-butyl 5-guanidino-2-(p-tolylsulfonylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 5-guanidino-2-(tosylamino)valeric acid tert-butyl ester Formula: C17H28N4O4S MolecularWeight: 384.49362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H28N4O4S/c1-12-7-9-13(10-8-12)26(23,24)21-14(6-5-11-20-16(18)19)15(22)25-17(2,3)4/h7-10,14,21H,5-6,11H2,1-4H3,(H4,18,19,20)