[1-(2-tert-butyl-4-methoxy-cyclohexyl)oxy-3-(octylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-(2-tert-butyl-4-methoxy-cyclohexyl)oxy-3-(octylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [1-[(2-tert-butyl-4-methoxy-cyclohexoxy)methyl]-2-(octylsulfonylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [1-(2-tert-butyl-4-methoxycyclohexyl)oxy-3-(octylsulfonylamino)propan-2-yl] ester IUPAC Name: [1-(2-tert-butyl-4-methoxycyclohexyl)oxy-3-(octylsulfonylamino)propan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [1-[(2-tert-butyl-4-methoxy-cyclohexoxy)methyl]-2-(octylsulfonylamino)ethyl] ester Formula: C32H53NO7S MolecularWeight: 595.83072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NCC(COC1CCC(CC1C(C)(C)C)OC)OC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)NCC(COC1CCC(CC1C(C)(C)C)OC)OC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C32H53NO7S/c1-7-8-9-10-11-12-21-41(35,36)33-23-28(40-31(34)20-15-25-13-16-26(37-5)17-14-25)24-39-30-19-18-27(38-6)22-29(30)32(2,3)4/h13-17,20,27-30,33H,7-12,18-19,21-24H2,1-6H3/b20-15+