2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-pyrrolidinopropyl)acetamide Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N3O3S/c1-33(31,32)29(19-25(30)27-9-4-12-28-10-2-3-11-28)24-7-5-23(6-8-24)26-16-20-13-21(17-26)15-22(14-20)18-26/h5-8,20-22H,2-4,9-19H2,1H3,(H,27,30)