[4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S2/c1-4-29(25,26)27-21-12-10-20(11-13-21)17-22(16-18(2)3)28(23,24)15-14-19-8-6-5-7-9-19/h5-15,18H,4,16-17H2,1-3H3/b15-14+