[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H22N2O6S/c1-19(9-15(20)18-14-6-7-14)16(21)10-25-17(22)13-5-3-4-12(8-13)11-26(2,23)24/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,18,20)