[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-13(18(21)20-12-14-4-8-16(25-2)9-5-14)26-19(22)15-6-10-17(11-7-15)27(3,23)24/h4-11,13H,12H2,1-3H3,(H,20,21)