(3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O3S/c1-3-30(28,29)26-15-21-7-5-4-6-20(21)11-22(26)23(27)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h4-7,16-19,22H,3,8-15H2,1-2H3,(H,25,27)/t16?,17?,18?,19?,22-,24?/m0/s1