[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfinate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfinate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CO[S@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H17NO3S/c1-12-3-7-14(8-4-12)17-16(18)11-20-21(19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,17,18)/t21-/m0/s1