(3R)-N-(1-adamantylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(1-adamantylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(1-adamantylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(1-adamantylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(1-adamantylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(1-adamantylmethyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S/c1-2-29(27,28)25-14-20-6-4-3-5-19(20)10-21(25)22(26)24-15-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,16-18,21H,2,7-15H2,1H3,(H,24,26)/t16?,17?,18?,21-,23?/m1/s1