[2-(hexylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C16H23NO5S/c1-3-4-5-6-11-17-15(18)12-22-16(19)13-7-9-14(10-8-13)23(2,20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)