[2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[methyl-[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]-methyl-amino]ethyl] ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CNC(=O)CN(C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C14H18N2O6S/c1-15-12(17)8-16(2)13(18)9-22-14(19)10-4-6-11(7-5-10)23(3,20)21/h4-7H,8-9H2,1-3H3,(H,15,17)