[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-26(23,24)12-14-3-2-4-15(9-14)18(22)25-11-17(21)20-10-13-5-7-16(19)8-6-13/h2-9H,10-12H2,1H3,(H,20,21)