[3-[[[(E)-2-phenylethenyl]sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(E)-2-phenylethenyl]sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isopropyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H23NO5S2/c1-16(2)20(27(23,24)13-12-17-8-5-4-6-9-17)15-18-10-7-11-19(14-18)25-26(3,21)22/h4-14,16H,15H2,1-3H3/b13-12+