butyl 12-(1-adamantylcarbamoylamino)dodecanoate; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Systemtic Name: butyl 12-(1-adamantylcarbamoylamino)dodecanoate; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Openeye Name: butyl 12-(1-adamantylcarbamoylamino)dodecanoate; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one CAS Name: 12-[[(1-adamantylamino)-oxomethyl]amino]dodecanoic acid butyl ester; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one IUPAC Name: butyl 12-(1-adamantylcarbamoylamino)dodecanoate; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Traditional Name: 12-(1-adamantylcarbamoylamino)lauric acid butyl ester; 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one Formula: C44H62N2O7S MolecularWeight: 763.03728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

InChI

InChI=1S/C27H48N2O3.C17H14O4S/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27;1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h22-24H,2-21H2,1H3,(H2,28,29,31);2-10H,11H2,1H3