2-[(4-methylphenyl)sulfonylamino]butyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]butyl 4-methylbenzenesulfonate Openeye Name: 2-(p-tolylsulfonylamino)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4-methylphenyl)sulfonylamino]butyl ester IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(tosylamino)butyl ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H23NO5S2/c1-4-16(19-25(20,21)17-9-5-14(2)6-10-17)13-24-26(22,23)18-11-7-15(3)8-12-18/h5-12,16,19H,4,13H2,1-3H3