[4-[[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(E)-styryl]sulfonyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(E)-styryl]sulfonyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25NO6S2/c1-29(23,24)28-20-11-9-19(10-12-20)16-22(17-21-8-5-14-27-21)30(25,26)15-13-18-6-3-2-4-7-18/h2-4,6-7,9-13,15,21H,5,8,14,16-17H2,1H3/b15-13+