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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

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