2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethyl-(2-methylsulfinylethyl)carbamic acid

Systemtic Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethyl-(2-methylsulfinylethyl)carbamic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethyl-(2-methylsulfinylethyl)carbamic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chloroanilino]ethyl-(2-methylsulfinylethyl)carbamic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloroanilino]ethyl-(2-methylsulfinylethyl)carbamic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethyl-(2-methylsulfinylethyl)carbamic acid Formula: C24H34ClN3O4S MolecularWeight: 496.06246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCN(CCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

CS(=O)CCN(CCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C24H34ClN3O4S/c1-33(32)7-6-28(23(30)31)5-4-26-19-2-3-21(25)20(11-19)22(29)27-15-24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18,26H,4-10,12-15H2,1H3,(H,27,29)(H,30,31)