3-[ethyl(phenylmethoxycarbonyl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[ethyl(phenylmethoxycarbonyl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[benzyloxycarbonyl(ethyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[ethyl(phenylmethoxycarbonyl)amino]propyl ester IUPAC Name: 3-[ethyl(phenylmethoxycarbonyl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[carbobenzoxy(ethyl)amino]propyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCN(CCCOS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO5S/c1-3-21(20(22)25-16-18-8-5-4-6-9-18)14-7-15-26-27(23,24)19-12-10-17(2)11-13-19/h4-6,8-13H,3,7,14-16H2,1-2H3