N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S/c1-2-7-29(27,28)25-6-5-19-3-4-21(11-20(19)15-25)24-22(26)23-12-16-8-17(13-23)10-18(9-16)14-23/h3-4,11,16-18H,2,5-10,12-15H2,1H3,(H,24,26)