(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O4S/c1-23(2,3)18-9-10-20-19(13-18)25(30(4,27)28)15-21(29-20)22(26)24-12-11-16-7-5-6-8-17(16)14-24/h5-10,13,21H,11-12,14-15H2,1-4H3