4-methylbenzenesulfonate; [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]azanium Openeye Name: [(2S)-3-benzyloxy-3-oxo-2-(p-tolylsulfonylamino)propyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]azanium Traditional Name: [(2S)-3-benzoxy-3-keto-2-(tosylamino)propyl]ammonium tosylate Formula: C24H28N2O7S2 MolecularWeight: 520.61832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C[NH3+])C(=O)OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C[NH3+])C(=O)OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20N2O4S.C7H8O3S/c1-13-7-9-15(10-8-13)24(21,22)19-16(11-18)17(20)23-12-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,16,19H,11-12,18H2,1H3;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1