N-(3-tert-butyl-1,2-oxazol-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C19H25N3O4S/c1-5-27(24,25)22-12-14-9-7-6-8-13(14)10-15(22)18(23)20-17-11-16(21-26-17)19(2,3)4/h6-9,11,15H,5,10,12H2,1-4H3,(H,20,23)