[2-[ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[ethyl-[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[ethyl-[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-4-17-14(19)10-18(5-2)15(20)11-24-16(21)12-6-8-13(9-7-12)25(3,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)