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

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C26H30N2O3S/c29-25(26-14-18-10-19(15-26)12-20(11-18)16-26)27-23-7-6-21-8-9-28(17-22(21)13-23)32(30,31)24-4-2-1-3-5-24/h1-7,13,18-20H,8-12,14-17H2,(H,27,29)