ethyl 4-(2-azanylethylcarbamoyl)-3-methoxy-benzenesulfonate

Systemtic Name: ethyl 4-(2-azanylethylcarbamoyl)-3-methoxy-benzenesulfonate Openeye Name: ethyl 4-(2-aminoethylcarbamoyl)-3-methoxy-benzenesulfonate CAS Name: 4-[(2-aminoethylamino)-oxomethyl]-3-methoxybenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-(2-aminoethylcarbamoyl)-3-methoxybenzenesulfonate Traditional Name: 4-(2-aminoethylcarbamoyl)-3-methoxy-benzenesulfonic acid ethyl ester Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC(=C(C=C1)C(=O)NCCN)OC

Isomeric SMILES

CCOS(=O)(=O)C1=CC(=C(C=C1)C(=O)NCCN)OC

InChI

InChI=1S/C12H18N2O5S/c1-3-19-20(16,17)9-4-5-10(11(8-9)18-2)12(15)14-7-6-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)