3-azanyl-4-(triphenylmethyl)sulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-4-(triphenylmethyl)sulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-4-tritylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-4-[(triphenylmethyl)thio]-2-azetidinone; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-tritylsulfanylazetidin-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-4-(tritylthio)azetidin-2-one; tosylic acid Formula: C29H28N2O4S2 MolecularWeight: 532.67362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4C(C(=O)N4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4C(C(=O)N4)N

InChI

InChI=1S/C22H20N2OS.C7H8O3S/c23-19-20(25)24-21(19)26-22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-15,19,21H,23H2,(H,24,25);2-5H,1H3,(H,8,9,10)