N-(1-adamantylmethyl)-2-chloranyl-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide; ethanoic acid

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide; ethanoic acid Openeye Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide CAS Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide IUPAC Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide Traditional Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfinylethylamino)ethylamino]benzamide Formula: C25H38ClN3O4S MolecularWeight: 512.10492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CS(=O)CCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)O.CS(=O)CCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34ClN3O2S.C2H4O2/c1-30(29)7-6-25-4-5-26-19-2-3-21(24)20(11-19)22(28)27-15-23-12-16-8-17(13-23)10-18(9-16)14-23;1-2(3)4/h2-3,11,16-18,25-26H,4-10,12-15H2,1H3,(H,27,28);1H3,(H,3,4)