2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-methyl-amino]butoxycarbonylamino]-2-methyl-phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate

Systemtic Name: 2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-methyl-amino]butoxycarbonylamino]-2-methyl-phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate Openeye Name: 2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butoxycarbonylamino]-2-methyl-phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[[5-[[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butoxy-oxomethyl]amino]-2-methylanilino]-oxomethoxy]propyl ester IUPAC Name: 2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butoxycarbonylamino]-2-methyl-phenyl]carbamoyloxy]propyl ester Formula: C29H30F17N3O8S MolecularWeight: 903.601654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OC(C)COC(=O)C(=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OC(C)COC(=O)C(=C)C

InChI

InChI=1S/C29H30F17N3O8S/c1-14(2)19(50)56-13-16(4)57-21(52)48-18-12-17(9-8-15(18)3)47-20(51)55-11-7-6-10-49(5)58(53,54)29(45,46)27(40,41)25(36,37)23(32,33)22(30,31)24(34,35)26(38,39)28(42,43)44/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,47,51)(H,48,52)