N-[[5-[4-(1-adamantylmethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-[4-(1-adamantylmethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[4-(1-adamantylmethylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[4-(1-adamantylmethylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[4-(1-adamantylmethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[4-(1-adamantylmethylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C30H41N3O4S2 MolecularWeight: 571.79424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H41N3O4S2/c1-37-26-6-2-4-24(15-26)29(34)31-19-27-7-8-28(38-27)39(35,36)33-10-3-5-25(9-11-33)32-20-30-16-21-12-22(17-30)14-23(13-21)18-30/h2,4,6-8,15,21-23,25,32H,3,5,9-14,16-20H2,1H3,(H,31,34)