N-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl]adamantan-1-amine

Systemtic Name: N-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl]adamantan-1-amine Openeye Name: N-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]adamantan-1-amine CAS Name: N-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl]-1-adamantanamine IUPAC Name: N-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]amine Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CNC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CNC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H36N4O3S/c1-2-5-29-23-4-3-21(33(30,31)28-6-8-32-9-7-28)13-22(23)27-24(29)17-26-25-14-18-10-19(15-25)12-20(11-18)16-25/h3-4,13,18-20,26H,2,5-12,14-17H2,1H3