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

Systemtic Name: (phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: benzyl 5-guanidino-2-(p-tolylsulfonylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 5-guanidino-2-(tosylamino)valeric acid benzyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O4S/c1-15-9-11-17(12-10-15)29(26,27)24-18(8-5-13-23-20(21)22)19(25)28-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,24H,5,8,13-14H2,1H3,(H4,21,22,23)