2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-pyrrolidinobenzyl)acetamide Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H39N3O3S/c1-37(35,36)33(21-29(34)31-20-22-4-8-27(9-5-22)32-12-2-3-13-32)28-10-6-26(7-11-28)30-17-23-14-24(18-30)16-25(15-23)19-30/h4-11,23-25H,2-3,12-21H2,1H3,(H,31,34)