methanamine; (4-methylsulfanyl-2-phenyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: methanamine; (4-methylsulfanyl-2-phenyl-phenyl) 4-methylbenzenesulfonate Openeye Name: methanamine; (4-methylsulfanyl-2-phenyl-phenyl) 4-methylbenzenesulfonate CAS Name: methanamine; 4-methylbenzenesulfonic acid [4-(methylthio)-2-phenylphenyl] ester IUPAC Name: methanamine; (4-methylsulfanyl-2-phenylphenyl) 4-methylbenzenesulfonate Traditional Name: methylamine; 4-methylbenzenesulfonic acid [4-(methylthio)-2-phenyl-phenyl] ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)SC)C3=CC=CC=C3.CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)SC)C3=CC=CC=C3.CN

InChI

InChI=1S/C20H18O3S2.CH5N/c1-15-8-11-18(12-9-15)25(21,22)23-20-13-10-17(24-2)14-19(20)16-6-4-3-5-7-16;1-2/h3-14H,1-2H3;2H2,1H3