(butoxycarbonylamino) 4-methylbenzenesulfonate

Systemtic Name: (butoxycarbonylamino) 4-methylbenzenesulfonate Openeye Name: (butoxycarbonylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[butoxy(oxo)methyl]amino] ester IUPAC Name: (butoxycarbonylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (butoxycarbonylamino) ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(=O)NOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H17NO5S/c1-3-4-9-17-12(14)13-18-19(15,16)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14)