2-[methyl(phenylmethoxycarbonyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[methyl(phenylmethoxycarbonyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[benzyloxycarbonyl(methyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[methyl(phenylmethoxycarbonyl)amino]ethyl ester IUPAC Name: 2-[methyl(phenylmethoxycarbonyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[carbobenzoxy(methyl)amino]ethyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S/c1-15-8-10-17(11-9-15)25(21,22)24-13-12-19(2)18(20)23-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3