4-[methyl(phenylmethoxycarbonyl)amino]butyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-17-10-12-19(13-11-17)27(23,24)26-15-7-6-14-21(2)20(22)25-16-18-8-4-3-5-9-18/h3-5,8-13H,6-7,14-16H2,1-2H3