(2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumyl-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumyl-3-phenyl-propanoate Openeye Name: (2R)-3-phenyl-2-[phenyl-(p-tolylsulfonylamino)methylene]ammonio-propanoate CAS Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]ammonio-3-phenylpropanoate IUPAC Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]azaniumyl-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-[phenyl-(tosylamino)methylene]ammonio-propionate Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+]C(CC2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+][C@H](CC2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-17-12-14-20(15-13-17)30(28,29)25-22(19-10-6-3-7-11-19)24-21(23(26)27)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3,(H,24,25)(H,26,27)/t21-/m1/s1