(2-ethoxyphenyl) 3-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[[2-(cyclopropylamino)-2-oxo-ethyl]carbamoyl]benzenesulfonate CAS Name: 3-[[[2-(cyclopropylamino)-2-oxoethyl]amino]-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]benzenesulfonate Traditional Name: 3-[[2-(cyclopropylamino)-2-keto-ethyl]carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(=O)NC3CC3

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(=O)NC3CC3

InChI

InChI=1S/C20H22N2O6S/c1-2-27-17-8-3-4-9-18(17)28-29(25,26)16-7-5-6-14(12-16)20(24)21-13-19(23)22-15-10-11-15/h3-9,12,15H,2,10-11,13H2,1H3,(H,21,24)(H,22,23)