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

Systemtic Name: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O3S/c1-2-28(26,27)24-14-19-6-4-3-5-18(19)10-20(24)21(25)23-22-11-15-7-16(12-22)9-17(8-15)13-22/h3-6,15-17,20H,2,7-14H2,1H3,(H,23,25)/t15?,16?,17?,20-,22?/m0/s1