(2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumyl-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumyl-4-methylsulfanyl-butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[phenyl-(p-tolylsulfonylamino)methylene]ammonio-butanoate CAS Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]ammonio-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]azaniumyl-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[phenyl-(tosylamino)methylene]ammonio-butyrate Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+]C(CCSC)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/C(=[NH+]/[C@H](CCSC)C(=O)[O-])/C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O4S2/c1-14-8-10-16(11-9-14)27(24,25)21-18(15-6-4-3-5-7-15)20-17(19(22)23)12-13-26-2/h3-11,17H,12-13H2,1-2H3,(H,20,21)(H,22,23)/t17-/m1/s1