N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC(C)(C)C

InChI

InChI=1S/C18H27N3O4S/c1-5-26(24,25)21-12-14-9-7-6-8-13(14)10-15(21)17(23)19-11-16(22)20-18(2,3)4/h6-9,15H,5,10-12H2,1-4H3,(H,19,23)(H,20,22)