[3-[[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ester Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S2/c1-3-29(24,25)27-20-11-7-10-19(16-20)17-21(13-14-26-2)28(22,23)15-12-18-8-5-4-6-9-18/h4-12,15-16H,3,13-14,17H2,1-2H3/b15-12+