(2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumylbutanedioate

Systemtic Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]azaniumylbutanedioate Openeye Name: (2R)-2-[phenyl-(p-tolylsulfonylamino)methylene]ammoniobutanedioate CAS Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]ammoniobutanedioate IUPAC Name: (2R)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]azaniumylbutanedioate Traditional Name: (2R)-2-[phenyl-(tosylamino)methylene]ammoniosuccinate Formula: C18H17N2O6S- MolecularWeight: 389.40238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-12-7-9-14(10-8-12)27(25,26)20-17(13-5-3-2-4-6-13)19-15(18(23)24)11-16(21)22/h2-10,15H,11H2,1H3,(H,19,20)(H,21,22)(H,23,24)/p-1/t15-/m1/s1