[1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [1-(2-ethylhexoxymethyl)-2-(ethylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] ester IUPAC Name: [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [1-[(esylamino)methyl]-2-(2-ethylhexoxy)ethyl] ester Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CNS(=O)(=O)CC)OC(=O)C=CC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC(CC)COCC(CNS(=O)(=O)CC)OC(=O)/C=C/C1=CC=C(C=C1)OC

InChI

InChI=1S/C23H37NO6S/c1-5-8-9-19(6-2)17-29-18-22(16-24-31(26,27)7-3)30-23(25)15-12-20-10-13-21(28-4)14-11-20/h10-15,19,22,24H,5-9,16-18H2,1-4H3/b15-12+