[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H16ClNO5S/c1-25(22,23)15-5-3-2-4-14(15)17(21)24-11-16(20)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,20)