(2R)-2-azaniumyl-5-[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]azaniumyl-pentanoate

Systemtic Name: (2R)-2-azaniumyl-5-[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]azaniumyl-pentanoate Openeye Name: (2R)-5-[amino-(p-tolylsulfonylamino)methylene]ammonio-2-azaniumyl-pentanoate CAS Name: (2R)-5-[amino-[(4-methylphenyl)sulfonylamino]methylidene]ammonio-2-ammoniopentanoate IUPAC Name: (2R)-5-[amino-[(4-methylphenyl)sulfonylamino]methylidene]azaniumyl-2-azaniumylpentanoate Traditional Name: (2R)-5-[amino-(tosylamino)methylene]ammonio-2-ammonio-valerate Formula: C13H21N4O4S+ MolecularWeight: 329.39524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+]CCCC(C(=O)[O-])[NH3+])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/C(=[NH+]/CCC[C@H](C(=O)[O-])[NH3+])/N

InChI

InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-13(15)16-8-2-3-11(14)12(18)19/h4-7,11H,2-3,8,14H2,1H3,(H,18,19)(H3,15,16,17)/p+1/t11-/m1/s1