[7-(methylsulfonylamino)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [7-(methylsulfonylamino)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [7-(methanesulfonamido)chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-(methanesulfonamido)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [7-(methanesulfonamido)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-(methanesulfonamido)chroman-2-yl]methyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-13-3-9-17(10-4-13)27(22,23)24-12-16-8-6-14-5-7-15(11-18(14)25-16)19-26(2,20)21/h3-5,7,9-11,16,19H,6,8,12H2,1-2H3