[(6R,7R)-3-chloranyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(6R,7R)-3-chloranyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium; 4-methylbenzenesulfonate Openeye Name: [(6R,7R)-2-benzhydryloxycarbonyl-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ammonium; 4-methylbenzenesulfonate CAS Name: [(6R,7R)-3-chloro-2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(6R,7R)-2-benzhydryloxycarbonyl-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(6R,7R)-2-benzhydryloxycarbonyl-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ammonium tosylate Formula: C27H25ClN2O6S2 MolecularWeight: 573.0802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C(=C(N2C(S1)C(C2=O)[NH3+])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C(=C(N2[C@H](S1)[C@@H](C2=O)[NH3+])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN2O3S.C7H8O3S/c21-14-11-27-19-15(22)18(24)23(19)16(14)20(25)26-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15,17,19H,11,22H2;2-5H,1H3,(H,8,9,10)/t15-,19-;/m1./s1